SCHEMBL2116456

SCHEMBL2116456

CC1CCN(CCC[O])CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
PRMT1 Q99873 1/20 0.52
PRMT8 Q9NR22 1/20 0.52
SIGMAR1 Q99720 7/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 6/20 0.45
MEN1 O00255 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD1 P21728 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
ACHE P22303 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL11351857 0.93 SIGMAR1 (0.50) CARM1PRMT6PRMT1PRMT8SIGMAR1
SCHEMBL2115304 0.87 SIGMAR1 (0.41) CARM1PRMT6PRMT1PRMT8SIGMAR1
SCHEMBL5245927 0.86 CARM1 (0.56) CARM1PRMT6PRMT1PRMT8SIGMAR1
SCHEMBL23828682 0.85 CARM1 (0.60) CARM1PRMT6PRMT1PRMT8SIGMAR1
Hydrochloric Acid SCHEMBL11413057 0.81 CARM1 (0.56) CARM1PRMT6PRMT1PRMT8SIGMAR1
SCHEMBL20234635 0.80 CARM1 (0.65) CARM1PRMT6PRMT1PRMT8SIGMAR1
SCHEMBL4375693 0.79 CARM1 (0.54) CARM1PRMT6PRMT1PRMT8SIGMAR1
SCHEMBL2116260 0.79 GNAI3 (0.39) HRH3MEN1CHRM2HTR1AADRA2A
SCHEMBL3016334 0.79 CARM1 (0.54) CARM1PRMT6PRMT1PRMT8SIGMAR1
SCHEMBL4374854 0.79 CARM1 (0.54) CARM1PRMT6PRMT1PRMT8SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206130-B2 Quinoline derivatives as AXL kinase inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-08 US claimed
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-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-4293694-A ANTICANCER, ANTIVIRAL, ANTIMICROBIAL AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-10-06 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 (1 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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 CARM1 1884/4885PRMT6 467/4885PRMT1 252/4885

“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.