SCHEMBL10050765

SCHEMBL10050765

CCc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 3/20 0.46
KCNH2 Q12809 3/20 0.46
CETP P11597 2/20 0.45
PDE2A O00408 3/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
TRAP1 Q12931 3/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL2565147 0.85 CTSS (0.47) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL5235367 0.84 ALDH1A1 (0.43) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL2669965 0.84 DAO (0.51) SLC6A4HTR2AKCNH2PDE2AMRGPRX4
SCHEMBL10656350 0.83 SLC6A4 (0.48) SLC6A4SLC6A2HTR2AKCNH2PDE2A
Ethylamine SCHEMBL4235858 0.83 SLC6A4 (0.43) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL4240974 0.82 SLC6A4 (0.48) SLC6A4SLC6A2HTR2AKCNH2CETP
SCHEMBL3105504 0.82 GABRA2 (0.43) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL11542294 0.82 ESR1 (0.46) ESR1ESR2ALDH1A1HSP90AA1CYP2D6
SCHEMBL5436712 0.82 SLC6A4 (0.43) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL15133743 0.81 ESR1 (0.44) SLC6A4HTR2AKCNH2PDE2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019516-A1 ASYMMETRIC PHASE TRANSFER CATALYSIS Merck Sharp & Dohme Corp. (US) 2022-06-29 EP disclosed
EP-3704118-B1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 EP disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
EP-2825536-B1 BIS-QUARTERNARY CINCHONA ALKALOID SALTS AS ASYMMETRIC PHASE TRANSFER CATALYSTS MERCK SHARP & DOHME (US) 2020-06-17 EP disclosed
US-10314820-B2 Imidazole-based heterocyclic compounds PROCOMCURE BIOTECH GMBH (AT) 2019-06-11 US disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds PROCOMCURE BIOTECH GMBH (AT) 2017-11-30 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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 (11 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC6A4 773/4885SLC6A2 364/4885HTR2A 1679/4885
US-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP2K2, MAP2K6, MAP2K1 SLC6A4 3901/4885SLC6A2 3438/4885HTR2A 2622/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP SLC6A4 4659/4885SLC6A2 4437/4885HTR2A 3766/4885
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 SLC6A4 70/4885SLC6A2 41/4885HTR2A 51/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 SLC6A4 1960/4885SLC6A2 3885/4885HTR2A 464/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 SLC6A4 4444/4885SLC6A2 4494/4885HTR2A 4134/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC6A4 773/4885SLC6A2 364/4885HTR2A 1679/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC6A4 773/4885SLC6A2 364/4885HTR2A 1679/4885
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds SLC11A2, MIF, NISCH SLC6A4 4730/4885SLC6A2 4463/4885HTR2A 4616/4885
US-10314820-B2 Imidazole-based heterocyclic compounds MIF, SLC11A2, TLR5 SLC6A4 4665/4885SLC6A2 4273/4885HTR2A 4590/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 SLC6A4 4527/4885SLC6A2 4867/4885HTR2A 2597/4885

“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.