SCHEMBL2115304

SCHEMBL2115304

CC1CCN(CCC[O])C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
HRH3 Q9Y5N1 9/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
HTR7 P34969 1/20 0.37
MEN1 O00255 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL2114687 0.88 HRH3 (0.48) HRH3HTR7KDM4EALDH1A1
SCHEMBL11289120 0.87
SCHEMBL2116456 0.87 CARM1 (0.52) SIGMAR1CARM1PRMT6PRMT1PRMT8
SCHEMBL9374563 0.87 SIGMAR1 (0.46) SIGMAR1CARM1PRMT6PRMT1PRMT8
SCHEMBL15760641 0.85 SIGMAR1 (0.49) SIGMAR1CARM1PRMT6PRMT1PRMT8
SCHEMBL10130223 0.81 GNAI3 (0.46) SIGMAR1HTR1ADRD1DRD3
SCHEMBL10130235 0.81 GNAI3 (0.46) SIGMAR1HTR1ADRD1DRD3
SCHEMBL11351857 0.81 SIGMAR1 (0.50) SIGMAR1CARM1PRMT6PRMT1PRMT8
SCHEMBL76763 0.81 GNAI3 (0.46) SIGMAR1HTR1ADRD1DRD3
SCHEMBL24582593 0.79 SIGMAR1 (0.41) SIGMAR1CARM1PRMT6PRMT1PRMT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
EP-1667996-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 EP disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 EP disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070032513-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2007-02-08 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 (5 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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR SIGMAR1 956/4885CARM1 3102/4885PRMT6 1356/4885
US-20070032513-A1 Quinazoline derivatives ERBB2, EGFR, ABL1 SIGMAR1 444/4885CARM1 2767/4885PRMT6 1278/4885
US-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 SIGMAR1 1469/4885CARM1 969/4885PRMT6 118/4885
US-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 SIGMAR1 86/4885CARM1 1884/4885PRMT6 467/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR SIGMAR1 893/4885CARM1 3079/4885PRMT6 1358/4885

“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.