SCHEMBL166137

SCHEMBL166137

O=CCc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
IDO1 P14902 2/20 0.45
TSHR P16473 2/20 0.42
GPR52 Q9Y2T5 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
CYP2A13 Q16696 1/20 0.37
KMT2A Q03164 2/20 0.37
PYCR1 P32322 1/20 0.36

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
SCHEMBL29566515 1.00 TAAR1 (0.46) TAAR1IDO1TSHRGPR52CYP1A2
SCHEMBL2478901 0.84 ALDH1A1 (0.40) TAAR1IDO1TSHRCYP1A2CYP2D6
SCHEMBL28879956 0.82 GABRA1 (0.43) TAAR1IDO1TSHRGPR52CYP1A2
SCHEMBL7461135 0.82 TDP1 (0.38) TSHRCYP2D6ALDH1A1HTTSMN1; SMN2
SCHEMBL7654186 0.81 TSHR (0.38) TAAR1IDO1TSHRCYP1A2CYP2D6
SCHEMBL430886 0.79 CA2 (0.43) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL1759301 0.79 PARP1 (0.40) TAAR1IDO1TSHRALDH1A1MAPT
SCHEMBL1849111 0.79 GABRA1 (0.35) TAAR1IDO1TSHRGABRA1GABRB2
SCHEMBL3408932 0.79 GABRA1 (0.35) TAAR1IDO1TSHRCYP1A2CYP2D6
SCHEMBL1701340 0.79 GABRA1 (0.40) TAAR1IDO1TSHRCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808100-A Indole alkaloid compound and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2020-10-23 CN claimed
CN-111233908-A Benzoxaborol-1-ol compound and preparation method and application thereof 南京农业大学 2020-06-05 CN claimed
WO-2012164572-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-06 WO claimed
EP-1868604-A2 REGULATION OF PROTEIN SYNTHESIS BY INHIBITION OF EIF4E-EIF4G INTERACTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-12-26 EP claimed
WO-2006078942-A2 REGULATION OF PROTEIN SYNTHESIS BY INHIBITION OF EIF4E-EIF4G INTERACTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-07-27 WO claimed
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US claimed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US claimed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP claimed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
EP-3843728-B1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC INC (US) 2025-04-30 EP disclosed
US-20250090440-A1 NOVEL CYCLIC ACETAL COMPOUNDS WITH ALDEHYDE OR KETONE FUNCTIONALITIES AND USES THEREOF Structure Holdings, LLC (US) 2025-03-20 US disclosed
US-20250032462-A1 BAX ACTIVATORS AND USES THEREOF IN CANCER THERAPY ALBERT EINSTEIN COLLEGE MEDICINE (US) 2025-01-30 US disclosed
EP-4422619-A1 INHIBITORS OF VIRAL HELICASES BINDING TO A NOVEL ALLOSTERIC BINDING SITE Eisbach Bio GmbH (DE) 2024-09-04 EP disclosed
US-4670443-A Benzo(f)isoquinoline compounds useful as calcium entry blockers MERCK & CO., INC. (US) 1987-06-02 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed
US-4532237-A Treating cardiovascular disorders MERCK & CO., INC. (US) 1985-07-30 US disclosed
EP-0145037-A2 N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 EP disclosed
US-3951662-A Method of antistatic treatment for silver halide photosensitive materials KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1976-04-20 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 (4 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 TAAR1 585/4885IDO1 57/4885TSHR 2435/4885
US-20250032462-A1 BAX ACTIVATORS AND USES THEREOF IN CANCER THERAPY BAX, BAD, BID TAAR1 4863/4885IDO1 4797/4885TSHR 4621/4885
US-20250090440-A1 NOVEL CYCLIC ACETAL COMPOUNDS WITH ALDEHYDE OR KETONE FUNCTIONALITIES AND USES THEREOF OR51E2, TAS2R5, TRPA1 TAAR1 79/4885IDO1 2054/4885TSHR 2960/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 TAAR1 2444/4885IDO1 1848/4885TSHR 3952/4885

“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.