SCHEMBL2425148

SCHEMBL2425148

CC(O)Cc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 1/20 0.41
AOC3 Q16853 1/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
SLC1A2 P43004 1/20 0.39

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
SCHEMBL15082795 1.00 TAAR1 (0.45) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL14718937 1.00 TAAR1 (0.45) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL5988255 0.84 GABRA1 (0.46) TAAR1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL27565475 0.83 GABRA1 (0.41) ALDH1A1GABRA1GABRB2
SCHEMBL5680506 0.83 TAAR1 (0.42) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL139640 0.82 GABRA1 (0.52) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL18901781 0.82 TAAR1 (0.48) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL5681973 0.81 TAAR1 (0.43) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL6200987 0.80 TAAR1 (0.46) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL10586668 0.79 TAAR1 (0.52) TAAR1IDO1ALDH1A1AOC3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980353-B ROR gamma modulators 领先制药控股公司 2019-06-14 CN disclosed
EP-2834233-B1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORP (FI) 2018-04-25 EP disclosed
CN-104220437-B The adrenoceptor agonists of α 2 奥赖恩公司 2017-11-10 CN disclosed
EP-2797878-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING STROKE BIO-PHARM SOLUTIONS CO LTD (KR) 2017-08-16 EP disclosed
EP-2797880-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY BIO-PHARM SOLUTIONS CO LTD (KR) 2017-03-01 EP disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-9249127-B2 Alpha2 adrenoceptor agonists ORION CORPORATION (FI) 2016-02-02 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
CN-1558903-A Water-soluble phenylpyridazine derivative and drug containing the same ������������ʽ���� 2004-12-29 CN disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-6717016-B2 HAVING CHEMICAL SELECTIVITY, ENANTIOSELECTIVITY, CATALYTIC ACTIVITY; FOR USE AS A CATALYST FOR ASYMMETRIC SYNTHESES, ESPECIALLY ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-06 US disclosed
EP-1334976-A1 Novel phosphine compound, transition metal complex containing said compound as ligand and asymetric synthesis catalyst containing said complex Takasago International Corporation (JP) 2003-08-13 EP disclosed
US-20030144139-A1 Novel phosphine compound, transition metal complex containing the same phosphine compound as ligand and asymmetric synthesis catalyst containing the complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-31 US disclosed
EP-0701546-B1 AROMATIC ACETYLCHOLINESTERASE INHIBITORS MERRELL PHARMA INC (US) 1998-12-23 EP disclosed
US-5663448-A Aromatic acetylcholinesterase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1997-09-02 US disclosed
EP-0701546-A1 AROMATIC ACETYLCHOLINESTERASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1996-03-20 EP disclosed
WO-1994029255-A1 AROMATIC ACETYLCHOLINESTERASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1994-12-22 WO disclosed
EP-0627400-A1 Aromatic acetylcholinesterase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1994-12-07 EP 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 (1 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-20030144139-A1 Novel phosphine compound, transition metal complex containing the same phosphine compound as ligand and asymmetric synthesis catalyst containing the complex PHOSPHO1, MEN1, PDCD1 TAAR1 2152/4885IDO1 1876/4885ALDH1A1 4025/4885

“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.