SCHEMBL73649

SCHEMBL73649

CC(C)(C)Cc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
RIPK1 Q13546 1/20 0.44
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DAO P14920 3/20 0.36
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL1912754 0.83 ESR1 (0.43) ESR1THRATHRBDAOSLC6A2
SCHEMBL562364 0.83 SLC6A2 (0.55) RIPK1HTTALDH1A1MAOAMAOB
SCHEMBL9027451 0.83 RIPK1 (0.45) RIPK1HTTALDH1A1MAOAMAOB
SCHEMBL1912677 0.83 ESR1 (0.43) ESR1RIPK1THRATHRBDAO
SCHEMBL565080 0.83 RIPK1 (0.45) ESR1RIPK1HTTALDH1A1MAOA
SCHEMBL23790349 0.83 ESR1 (0.43) ESR1RIPK1THRATHRBDPP4
SCHEMBL13905164 0.81 CYP1A2 (0.47) ESR1RIPK1ALDH1A1MAOAMAOB
SCHEMBL13821426 0.81 RIPK1 (0.47) RIPK1HTTALDH1A1MAOAMAOB
SCHEMBL13788319 0.81 RIPK1 (0.47) ESR1RIPK1HTTALDH1A1MAOA
SCHEMBL2600030 0.81 CNR2 (0.43) ESR1HTTALDH1A1DAOSLC6A2

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 252 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-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS Madera Therapeutics, LLC 2023-10-26 US disclosed
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS Madera Therapeutics, LLC 2023-10-26 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230128006-A1 SPIRO-LACTAM NMDA MODULATORS AND METHODS OF USING SAME APTINYX INC. 2023-04-27 US disclosed
US-20230128006-A1 SPIRO-LACTAM NMDA MODULATORS AND METHODS OF USING SAME APTINYX INC. 2023-04-27 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 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 (15 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ESR1 1088/4885RIPK1 3010/4885HTT 3632/4885
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 ESR1 2227/4885RIPK1 1219/4885HTT 3402/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 ESR1 1581/4885RIPK1 1209/4885HTT 1695/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ESR1 4551/4885RIPK1 158/4885HTT 3983/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ESR1 1088/4885RIPK1 3010/4885HTT 3632/4885
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola SPHK2, SPHK1, S1PR2 ESR1 4857/4885RIPK1 462/4885HTT 4703/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 ESR1 3881/4885RIPK1 4/4885HTT 3599/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP ESR1 4439/4885RIPK1 242/4885HTT 923/4885
US-20230128006-A1 SPIRO-LACTAM NMDA MODULATORS AND METHODS OF USING SAME GRIN1, GRIN2A, GRIN2C ESR1 1714/4885RIPK1 1859/4885HTT 1545/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ESR1 4369/4885RIPK1 4519/4885HTT 1110/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 ESR1 4482/4885RIPK1 1360/4885HTT 2264/4885
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS CLPP, PRCP, PREP ESR1 2854/4885RIPK1 3137/4885HTT 3207/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR ESR1 534/4885RIPK1 2459/4885HTT 300/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 ESR1 1251/4885RIPK1 4856/4885HTT 1967/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 ESR1 2358/4885RIPK1 3408/4885HTT 4516/4885

“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.