SCHEMBL4153178

SCHEMBL4153178

COc1ccc2occ(CC(C)=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.66
MTNR1B P49286 5/20 0.66
NQO2 P16083 1/20 0.66
ALDH1A1 P00352 1/20 0.62
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL31622920 0.88 MTNR1A (0.62) MTNR1AMTNR1BNQO2ALDH1A1TSHR
SCHEMBL8886379 0.88 MTNR1A (0.62) MTNR1AMTNR1BNQO2ALDH1A1TSHR
SCHEMBL17785106 0.86 MTNR1A (0.70) MTNR1AMTNR1BNQO2ALDH1A1TSHR
SCHEMBL17785105 0.86 MTNR1A (0.60) MTNR1AMTNR1BNQO2ALDH1A1TSHR
SCHEMBL17785137 0.83 MTNR1A (0.57) MTNR1AMTNR1BNQO2ALDH1A1TSHR
SCHEMBL19627186 0.80 THRB (0.61) ALDH1A1TSHRMAPTMAPK1
SCHEMBL8695136 0.80 MTNR1A (0.67) MTNR1AMTNR1BNQO2ALDH1A1TSHR
SCHEMBL7018941 0.80 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8885141 0.80 MTNR1A (0.66) MTNR1AMTNR1BNQO2ALDH1A1TSHR
SCHEMBL8695023 0.79 MTNR1A (0.65) MTNR1AMTNR1BNQO2ALDH1A1TSHR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122213-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-04-17 US disclosed
US-12195478-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-01-14 US disclosed
EP-4487913-A2 OPIOID RECEPTOR MODULATORS The Trustees Of Columbia University In The City Of New York (US) 2025-01-08 EP disclosed
EP-3224261-B1 OPIOID RECEPTOR MODULATORS UNIV COLUMBIA (US) 2024-09-18 EP disclosed
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 US disclosed
EP-3224261-A1 OPIOID RECEPTOR MODULATORS The Trustees of Columbia University in the City of New York (US) 2017-10-04 EP disclosed
WO-2016086158-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-06-02 WO disclosed
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 WO 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 (9 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-12195478-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MTNR1A 233/4885MTNR1B 261/4885NQO2 2003/4885
US-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 245/4885MTNR1B 326/4885NQO2 1560/4885
US-20250122213-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 233/4885MTNR1B 261/4885NQO2 2003/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 233/4885MTNR1B 261/4885NQO2 2003/4885
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A MTNR1A 134/4885MTNR1B 119/4885NQO2 1180/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C MTNR1A 723/4885MTNR1B 592/4885NQO2 250/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MTNR1A 245/4885MTNR1B 326/4885NQO2 1560/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C MTNR1A 723/4885MTNR1B 592/4885NQO2 250/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 MTNR1A 147/4885MTNR1B 129/4885NQO2 1105/4885

“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.