SCHEMBL2685182

SCHEMBL2685182

COc1ccc2c(c1)c(CC(=O)O)cn2C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.63
MTNR1B P49286 7/20 0.63
NQO2 P16083 1/20 0.63
ADRB2 P07550 1/20 0.62
AKR1C3 P42330 6/20 0.61
AKR1C2 P52895 3/20 0.61
AKR1C4 P17516 1/20 0.61
PTGS1 P23219 1/20 0.61
HTR6 P50406 1/20 0.59
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.53
PLA2G2A P14555 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
SCHEMBL2686296 0.87 MTNR1A (0.65) MTNR1AMTNR1BNQO2ADRB2AKR1C3
SCHEMBL18509701 0.86 MTNR1A (0.67) MTNR1AMTNR1BNQO2ADRB2HTR6
SCHEMBL25100759 0.85 HTR6 (0.62) MTNR1AMTNR1BNQO2AKR1C3AKR1C2
SCHEMBL13888101 0.83 ADRB2 (0.70) MTNR1AMTNR1BNQO2ADRB2AKR1C3
SCHEMBL24723814 0.83 MTNR1A (0.57) MTNR1AMTNR1BNQO2ADRB2AKR1C3
SCHEMBL12480873 0.82 AKR1C3 (0.67) MTNR1AAKR1C3AKR1C2AKR1C4PTGS1
SCHEMBL24723269 0.82 MTNR1A (0.56) MTNR1AMTNR1BNQO2ADRB2AKR1C3
SCHEMBL16494963 0.81 HTR6 (0.57) MTNR1AMTNR1BNQO2ADRB2AKR1C3
SCHEMBL11888513 0.81 CDK2 (0.47) HSD17B10KDM4E
SCHEMBL2684793 0.81 SPR (0.55) MTNR1AMTNR1BPTGS1HTR6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-12-01 US disclosed
EP-3078374-B1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER UNIV VANDERBILT (US) 2019-06-19 EP disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
EP-3175856-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS The Trustees of the University of Pennsylvania (US) 2017-06-07 EP disclosed
EP-3130589-A1 HETEROCYCLIC AZA COMPOUNDS Grünenthal GmbH (DE) 2017-02-15 EP disclosed
EP-2037967-B1 PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS FOR TREATING ANDROGENETIC ALOPECIA UNIV PENNSYLVANIA (US) 2016-12-07 EP disclosed
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-12-01 US disclosed
EP-2638034-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-09-18 EP disclosed
WO-2012062462-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 WO disclosed
WO-2012062462-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 WO disclosed
EP-0642513-B1 INDOLOCARBAZOLE IMIDES AND THEIR USE KTB TUMORFORSCHUNGSGESELLSCHAF (DE) 2000-08-09 EP disclosed
US-5945440-A Indolocarbazole imides and the use thereof GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-08-31 US disclosed
EP-0747379-B1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR (FR) 1999-08-11 EP disclosed
US-5883114-A TREATING CANCEROUS TUMORS, INFLAMMATORY DISEASES, AND ALLERGIES GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
US-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US disclosed
EP-0747379-A1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR ET COMPAGNIE (FR) 1996-12-11 EP disclosed
EP-0642513-A1 INDOLOCARBAZOLE IMIDES AND THEIR USE GÖDECKE AKTIENGESELLSCHAFT (DE) 1995-03-15 EP disclosed
EP-0384349-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1994-04-27 EP disclosed
WO-1993024491-A1 INDOLOCARBAZOLE IMIDES AND THEIR USE Gödecke Aktiengesellschaft (DE) 1993-12-09 WO disclosed
EP-0384349-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 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 (2 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-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 MTNR1A 405/4885MTNR1B 530/4885NQO2 1434/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 MTNR1A 405/4885MTNR1B 530/4885NQO2 1434/4885

“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.