SCHEMBL13117947

SCHEMBL13117947

CB(O)N1CCCCC1CN

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ DPP4 P27487 5/20 0.34
▸ DPP7 Q9UHL4 5/20 0.34
▸ DPP8 Q6V1X1 4/20 0.34
▸ DPP9 Q86TI2 4/20 0.34
▸ CYP1A2 P05177 1/20 0.32
▸ FAP Q12884 2/20 0.31
▸ PREP P48147 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15107202 0.94 DPP4 (0.39) HTTDPP4DPP7DPP8DPP9
SCHEMBL11990412 0.79 CYP1A2 (0.34) CYP1A2
SCHEMBL11990435 0.79 PSEN1 (0.36) CYP1A2
SCHEMBL11990475 0.79 CYP1A2 (0.34) CYP1A2
SCHEMBL30338737 0.78 CYP1A2 (0.33) CYP1A2
SCHEMBL11990465 0.77 — —
SCHEMBL11990411 0.77 — —
SCHEMBL11990436 0.77 CHRNB2 (0.42) —
SCHEMBL17301107 0.76 POLB (0.44) DPP4DPP7DPP8DPP9FAP
SCHEMBL17414350 0.76 KMT2A (0.34) DPP4DPP7DPP8DPP9FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-17 — — US disclosed
US-8487093-B2 β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-16 — — US disclosed
US-20110294777-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-12-01 — — US disclosed
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 — — US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — 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 (7 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-20110294777-A1 BETA-LACTAMASE INHIBITORS MGAM, RPIA, LBR HTT 4864/4885DPP4 1194/4885DPP7 821/4885
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 HTT 3567/4885DPP4 1747/4885DPP7 1751/4885
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A HTT 3417/4885DPP4 1785/4885DPP7 1777/4885
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MGAM, RPIA, XDH HTT 4851/4885DPP4 1008/4885DPP7 745/4885
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A HTT 3417/4885DPP4 1785/4885DPP7 1777/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A HTT 3833/4885DPP4 379/4885DPP7 402/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A HTT 3417/4885DPP4 1785/4885DPP7 1777/4885

“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.

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