SCHEMBL291319

SCHEMBL291319

COCCCOc1cccc(N2CCNC(C)(C)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.44
REN P00797 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.38
FGFR2 P21802 1/20 0.38
DRD2 P14416 4/20 0.38
TRPA1 O75762 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GUSB P08236 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL293148 0.77 DRD2 (0.43) ADRB1RENCYP2C19DRD2MAPT
SCHEMBL28780740 0.76 NOTUM (0.45) ADRB1MAPT
SCHEMBL19035611 0.72 HTR3E (0.52) ADRB1RENCHRNB2CHRNA4CYP1A2
SCHEMBL293549 0.71 NR1H3 (0.48) REN
SCHEMBL24398779 0.70 ALDH1A1 (0.59) MAPK1KCNH2MAPTMEN1KMT2A
SCHEMBL15858018 0.69 KCNH2 (0.44) CHRNB2CHRNA4KCNH2DRD2MAPT
SCHEMBL11544382 0.68 ADRB1 (0.65) ADRB1CYP1A2CYP2D6CYP2C19DRD2
SCHEMBL14747888 0.68 ADRB1 (0.42) ADRB1FGFR2
SCHEMBL13428903 0.67 FGFR2 (0.44) ADRB1CHRNB2CHRNA4FGFR2MAPT
SCHEMBL17897281 0.67 KCNH2 (0.39) CHRNB2CHRNA4KCNH2DRD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP 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-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 ADRB1 6/4885REN 35/4885CHRNB2 620/4885

“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.