SCHEMBL2116406

SCHEMBL2116406

CC(C)C1CCN(CCCO)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.39
GNAO1 P09471 5/20 0.39
GNAI1 P63096 5/20 0.39
HRH1 P35367 2/20 0.36
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GBA1 P04062 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL14768953 0.94 GNAO1 (0.42) GNAI3GNAO1GNAI1HRH1SIGMAR1
SCHEMBL2116367 0.89 GBA1 (0.36) GNAI3GNAO1GNAI1HRH1GBA1
SCHEMBL15837589 0.89 GBA1 (0.36) GNAI3GNAO1GNAI1HRH1GBA1
SCHEMBL2603219 0.88 SLC18A3 (0.43) GNAI3GNAO1GNAI1HRH1CARM1
SCHEMBL26494066 0.87 GNAO1 (0.44) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL2116365 0.85 GNAI3 (0.37) GNAI3GNAO1GNAI1HRH1TLR9
SCHEMBL1615678 0.83 GNAO1 (0.50) GNAI3GNAO1GNAI1
SCHEMBL2118268 0.83 HRH1 (0.37) GNAI3GNAO1GNAI1HRH1TLR9
SCHEMBL25075207 0.83 GNAI3 (0.38) GNAI3GNAO1GNAI1CARM1PRMT6
SCHEMBL19400526 0.82 HTR1A (0.42) HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-06-07 US disclosed
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-05-06 US disclosed
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 US disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8354540-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2013-01-15 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2011-11-17 US disclosed
US-8022223-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 EP disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GNAI3 2889/4885GNAO1 4626/4885GNAI1 3186/4885
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 GNAI3 718/4885GNAO1 1539/4885GNAI1 763/4885
US-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 GNAI3 3293/4885GNAO1 2673/4885GNAI1 2800/4885
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors CDK4, CDK6, CDK2 GNAI3 2269/4885GNAO1 1965/4885GNAI1 1992/4885
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, PRKCSH GNAI3 2842/4885GNAO1 2699/4885GNAI1 2268/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GNAI3 2889/4885GNAO1 4626/4885GNAI1 3186/4885
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GNAI3 2190/4885GNAO1 1637/4885GNAI1 2068/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 GNAI3 2889/4885GNAO1 4626/4885GNAI1 3186/4885
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF CDK4, CDK6, CDK1 GNAI3 1734/4885GNAO1 1938/4885GNAI1 1621/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GNAI3 2889/4885GNAO1 4626/4885GNAI1 3186/4885

“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.