SCHEMBL3038065

SCHEMBL3038065

Cc1ccc(Nc2ccnc(N)n2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.58
ROCK1 Q13464 13/20 0.55
BCL6 P41182 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
CDC7 O00311 1/20 0.53
MAPKAPK2 P49137 2/20 0.52
KCNH2 Q12809 1/20 0.48

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
SCHEMBL5306034 0.88 ROCK1 (0.55) ROCK1BCL6CA12CA1CA2
SCHEMBL2959707 0.82 ROCK1 (0.61) ROCK1BCL6CA12CA1CA2
SCHEMBL16380594 0.82 ROCK2 (0.58) ROCK1BCL6CA12CA1CA2
SCHEMBL5308695 0.79 ROCK1 (0.61) ROCK1BCL6CA12CA1CA2
SCHEMBL29645150 0.78 ROCK1 (0.69) ROCK1BCL6CA12CA1CA2
SCHEMBL11166939 0.77 ROCK1 (0.55) ROCK1BCL6CA12CA1CA2
SCHEMBL3044185 0.77 KDR (0.58) KDRKCNH2SCN9A
SCHEMBL29645155 0.76 ROCK1 (0.68) ROCK1BCL6HTR3EHTR3BHTR3A
SCHEMBL27612768 0.76 SYK (0.70) KDRROCK1BCL6HTR3EHTR3B
SCHEMBL14404598 0.74 MAPKAPK2 (0.69) ROCK1CA12CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327383-A1 PIPERIDINE DERIVATIVE, AND PHARMACEUTIAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Yichang Humanwell Pharmaceutical Co., Ltd. (CN) 2024-10-03 US disclosed
EP-4345096-A1 PIPERIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Yichang Humanwell Pharmaceutical Co., Ltd. (CN) 2024-04-03 EP disclosed
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO disclosed
US-20040248938-A1 such as 2-Biphenyl-4-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide hydrochloride, used as histamine H3 receptor antagonist or agonists; antidiabetic, hypotensive or hypoglycemic agents HIGH POINT PHARMACEUTICALS, LLC 2004-12-09 US disclosed
US-20030186963-A1 Substituted piperidines NOVO NORDISK A/S (DK) 2003-10-02 US disclosed
US-5786481-A 3-THIO-7-AZABICYCLO(3.3.1)NONANES FOR CARDIOVASCULAR DISORDERS THE BOARD OF REGENTS, OKLAHOMA STATE UNIVERSITY (US) 1998-07-28 US disclosed
US-5468858-A Sudden death syndrome THE BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY PHYSICAL SCIENCES (US) 1995-11-21 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-20030186963-A1 Substituted piperidines HRH3, HRH4, HRH2 KDR 2367/4885ROCK1 4459/4885BCL6 2330/4885
US-20240327383-A1 PIPERIDINE DERIVATIVE, AND PHARMACEUTIAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF OPRL1, OPRD1, OPRM1 KDR 489/4885ROCK1 958/4885BCL6 4207/4885
US-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 KDR 2367/4885ROCK1 4459/4885BCL6 2330/4885
US-20040248938-A1 such as 2-Biphenyl-4-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide hydrochloride, used as histamine H3 receptor antagonist or agonists; antidiabetic, hypotensive or hypoglycemic agents HRH3, HRH4, HRH2 KDR 637/4885ROCK1 2908/4885BCL6 2921/4885
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS KDR 589/4885ROCK1 1704/4885BCL6 1243/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 KDR 1458/4885ROCK1 1934/4885BCL6 52/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS KDR 589/4885ROCK1 1704/4885BCL6 1243/4885

“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.