SCHEMBL449889

SCHEMBL449889

COc1cccc(CC(C)C)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.76
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
AOC3 Q16853 1/20 0.54
CHRM2 P08172 2/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
CMA1 P23946 1/20 0.51
ADRB2 P07550 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAOB P27338 1/20 0.50
CASR P41180 1/20 0.49

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
SCHEMBL13718717 0.88 TAAR1 (0.60) TAAR1IDO1AGXTAOC3CHRM2
SCHEMBL13718930 0.88 TAAR1 (0.60) TAAR1IDO1AGXTAOC3CASR
(S)-M-Methoxyamphetamine SCHEMBL269071 0.86 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
(S)-M-Methoxyamphetamine SCHEMBL3293027 0.86 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
(S)-M-Methoxyamphetamine SCHEMBL11461072 0.86 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
(S)-M-Methoxyamphetamine SCHEMBL30813013 0.86 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
SCHEMBL9538055 0.86 TAAR1 (0.56) TAAR1
SCHEMBL9071087 0.85 TAAR1 (0.71) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL29365903 0.85 TAAR1 (0.71) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL3163360 0.85 TAAR1 (0.71) TAAR1IDO1AGXTAOC3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598750-A1 INDOLES Pfizer Limited (GB) 1994-06-01 EP claimed
WO-1993002050-A1 INDOLES PFIZER LIMITED (GB) 1993-02-04 WO claimed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2023-11-09 US disclosed
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
WO-1998057910-A2 CYCLOOXYGENASE-I SELECTIVE INHIBITORS AND THE USE THEREOF AS ANALGESIC, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1998-12-23 WO disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
CN-1030701-C Indole derivatives and process for production thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-17 CN disclosed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 EP disclosed
WO-1993002050-A1 INDOLES PFIZER LIMITED (GB) 1993-02-04 WO disclosed
CN-1056685-A Indole derivatives and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed
US-4013690-A ORGANIC COMPOUNDS SANDOZ LTD. (CH) 1977-03-22 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 (6 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-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK TAAR1 3775/4885IDO1 980/4885AGXT 3089/4885
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, SI TAAR1 4761/4885IDO1 1059/4885AGXT 1607/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 TAAR1 88/4885IDO1 1166/4885AGXT 1830/4885
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP TAAR1 713/4885IDO1 4249/4885AGXT 1208/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 TAAR1 3661/4885IDO1 952/4885AGXT 1712/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B TAAR1 4724/4885IDO1 3449/4885AGXT 3452/4885

“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.