SCHEMBL10186705

SCHEMBL10186705

CCCCc1cc(CNC2CC2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.40
MAPK1 P28482 3/20 0.40
HTR2B P41595 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
SCN1A P35498 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
SYK P43405 1/20 0.38
POLB P06746 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37

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
SCHEMBL8250680 0.91 SIGMAR1 (0.38) SIGMAR1MAPK1HTR2BALDH1A1KCNH2
SCHEMBL10186703 0.79 CNR1 (0.34) ALDH1A1LMNAPOLBTLR7KDM4E
SCHEMBL10186691 0.78 ALDH1A1 (0.43) ALDH1A1KCNH2POLBKDM4E
SCHEMBL8234940 0.76 CNR1 (0.40) ALDH1A1LMNAPOLBTLR7KDM4E
SCHEMBL10186694 0.75 CNR1 (0.34) ALDH1A1KCNH2POLBTLR7KDM4E
SCHEMBL10186702 0.73 ALDH1A1 (0.40) ALDH1A1POLBTLR7KDM4E
SCHEMBL664743 0.70 ALDH1A1 (0.43) ALDH1A1KCNH2POLBKDM4E
SCHEMBL88993 0.70 ALDH1A1 (0.40) ALDH1A1KCNH2POLBTLR7KDM4E
SCHEMBL8251206 0.70 ALDH1A1 (0.35) ALDH1A1KCNH2POLBKDM4E
SCHEMBL663467 0.68 ALDH1A1 (0.44) ALDH1A1KCNH2POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 SIGMAR1 4561/4885MAPK1 830/4885HTR2B 3845/4885

“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.