SCHEMBL73498

SCHEMBL73498

CC(C)(C)Cc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A3 Q01959 2/20 0.67
HTR2A P28223 1/20 0.67
HRH1 P35367 1/20 0.67
HTR2B P41595 1/20 0.67
CHRNA4 P43681 1/20 0.67
ESR1 P03372 1/20 0.58
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KCNH2 Q12809 1/20 0.47
IDO1 P14902 2/20 0.46
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRA P10827 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14278031 0.93 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL6685103 0.86 ESR1 (0.74) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL28848601 0.84 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11577478 0.80 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL5873468 0.80 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL8851612 0.80 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL9479412 0.80 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL3011129 0.80 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR2AHRH1
Chlorphentermine SCHEMBL160516 0.80 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11670635 0.78 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR2AHRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 418 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents MERCK SHARP & DOHME LLC 2007-04-26 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5965613-A FUNGICIDES FOR USE IN AGRICULTURE AND HORTICULTURE; THE COMPOUNDS ALSO HAVE INSECTICIDAL AND ACARICIDAL ACTIVITY NOVARTIS FINANCE CORPORATION (US) 1999-10-12 US disclosed
US-4853489-A TO PARA-TERTIARY-BUTYLBENZYL CHLORIDE; GIVAUDAN CORPORATION 1989-08-01 US disclosed
US-4808568-A AZOPYRIDONE YELLOW DYE COATING ON SHEET; BRIGHTNESS, LIGHTFASTNESS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 SLC6A4 3148/4885SLC6A2 4544/4885SLC6A3 4498/4885
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents GPR119, GLP1R, INSR SLC6A4 4253/4885SLC6A2 4281/4885SLC6A3 4509/4885
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DHFR SLC6A4 3074/4885SLC6A2 3554/4885SLC6A3 2758/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP SLC6A4 3410/4885SLC6A2 2958/4885SLC6A3 2530/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT SLC6A4 2479/4885SLC6A2 1160/4885SLC6A3 2113/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP SLC6A4 4877/4885SLC6A2 4884/4885SLC6A3 4879/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 SLC6A4 4681/4885SLC6A2 4471/4885SLC6A3 2594/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR SLC6A4 2336/4885SLC6A2 3588/4885SLC6A3 2277/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD SLC6A4 3218/4885SLC6A2 3667/4885SLC6A3 2773/4885
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR ZC3HAV1, COPB1, CNBP SLC6A4 4713/4885SLC6A2 4766/4885SLC6A3 4649/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.