SCHEMBL7755891

SCHEMBL7755891

CC(C)n1cc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
NOTUM Q6P988 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
MPO P05164 2/20 0.37
SLC6A2 P23975 1/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
HPGD P15428 2/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL19539311 0.84 HDAC8 (0.42) HDAC8NOTUMHRH3MPOSLC6A2
SCHEMBL29602706 0.79 HDAC8 (0.44) HDAC8SLC6A2MAPTALDH1A1GLA
SCHEMBL27004892 0.79 HDAC8 (0.44) HDAC8HRH3MPOSLC6A2TSHR
SCHEMBL29691228 0.76 HDAC8 (0.43) HDAC8HRH3SLC6A2MAPTTSHR
SCHEMBL17673705 0.76 HDAC8 (0.40) HDAC8NOTUMMPOSLC6A2TSHR
SCHEMBL19270204 0.75 KDM4C (0.39) NOTUMATMADORA2AADORA1USP2
SCHEMBL12730005 0.75 CYP1A2 (0.41) NOTUMMAPTADORA2AADORA1ALDH1A1
SCHEMBL19270203 0.75 KDM4C (0.36) NOTUMADORA2AADORA1USP2
SCHEMBL20117305 0.75 NOTUM (0.43) NOTUMMAPTCASP1CASP7ADORA2A
SCHEMBL30730354 0.75 HDAC8 (0.48) HDAC8NOTUMMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458992-B Pyridyl piperidine 默克专利股份公司 2019-03-15 CN claimed
US-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS AMGEN INC. (US) 2024-12-12 US disclosed
US-20240239836-A9 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2024-06-27 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2024-06-27 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 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 (10 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 HDAC8 3320/4885NOTUM 3853/4885HRH3 3426/4885
US-20240239836-A9 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF ADRB2, TACR2, CNR1 HDAC8 2803/4885NOTUM 1687/4885HRH3 503/4885
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE PNPO, DPYD, PYGB HDAC8 974/4885NOTUM 2560/4885HRH3 1840/4885
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 HDAC8 1456/4885NOTUM 269/4885HRH3 2990/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 HDAC8 2226/4885NOTUM 2428/4885HRH3 3805/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP HDAC8 1399/4885NOTUM 1133/4885HRH3 4049/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 HDAC8 2226/4885NOTUM 2428/4885HRH3 3805/4885
US-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS HPGD, ADH1A, ADH5 HDAC8 1622/4885NOTUM 548/4885HRH3 2478/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HDAC8 471/4885NOTUM 1368/4885HRH3 3631/4885
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HDAC8 618/4885NOTUM 2919/4885HRH3 2/4885

“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.