SCHEMBL3658477

SCHEMBL3658477

CCOP(=O)(Cc1ccncc1)OCC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NEK2 P51955 1/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
FDPS P14324 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HDAC1 Q13547 1/20 0.37
PPARD Q03181 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
SCHEMBL3375825 0.86 TSHR (0.50) NPY5RTSHRMAPTCCNT1CDK9
SCHEMBL2955651 0.81 PPARD (0.42) TSHRLMNAMAPTKDM4ENEK2
SCHEMBL2493713 0.80 TSHR (0.44) NPY5RTSHRMAPTCCNT1CDK9
SCHEMBL366215 0.80 NPY5R (0.50) NPY5RTSHRMAPTCCNT1CDK9
SCHEMBL16062693 0.80 POLB (0.46) NPY5RTSHRMAPTCCNT1CDK9
SCHEMBL10067438 0.80 HDAC1 (0.41) NPY5RNEK2CCNT1CDK9TLR8
SCHEMBL578225 0.79 FDPS (0.45) LMNAFDPS
SCHEMBL9602529 0.79 HRH1 (0.41) TSHRLMNAPPARD
SCHEMBL4320036 0.79 CCNT1 (0.42) NPY5RTSHRMAPTCCNT1CDK9
SCHEMBL23822678 0.78 TSHR (0.43) NPY5RTSHRMAPTCCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695271-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2026-02-18 EP disclosed
WO-2024215820-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2024-10-17 WO disclosed
US-20170309840-A1 HIGH EFFICIENCY DYE SENSITIZED PHOTOELECTROSYNTHESIS CELLS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-10-26 US disclosed
US-9206219-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-9156877-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-benzylidene derivatives, methods for the production thereof and use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-13 US disclosed
EP-2456782-B1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
US-20120316145-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-12-13 US disclosed
US-20120258941-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-11 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 US disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 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 (3 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-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 NPY5R 2398/4885TSHR 2111/4885LMNA 2783/4885
US-20120258941-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES CYP19A1, SHBG, HSD17B11 NPY5R 223/4885TSHR 176/4885LMNA 281/4885
US-20120316145-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES HSD17B11, CYP17A1, CYP19A1 NPY5R 63/4885TSHR 804/4885LMNA 1930/4885

“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.