SCHEMBL4910158

SCHEMBL4910158

c1ccc(CNc2nc3ccccc3n2C2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
OGFRL1 Q5TC84 3/20 0.49
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NR4A2 P43354 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
OPRL1 P41146 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.45
TRPC4 Q9UBN4 1/20 0.43
TRPC5 Q9UL62 1/20 0.43
MAPK1 P28482 3/20 0.43

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
SCHEMBL4918061 0.88 NR4A2 (0.46) OGFRL1OPRM1OPRD1OPRK1NR4A2
SCHEMBL4909486 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19OGFRL1
SCHEMBL4918658 0.82 NR4A2 (0.45) OGFRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4915316 0.81 HDAC3 (0.55) OGFRL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4920409 0.80 OPRM1 (0.45) OGFRL1OPRM1OPRD1OPRK1NR4A2
SCHEMBL4910139 0.79 NR4A2 (0.44) OGFRL1OPRM1OPRD1OPRK1NR4A2
SCHEMBL15576001 0.76 GSK3B (0.47) OGFRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4916973 0.76 OPRM1 (0.57) OGFRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL6161817 0.73 CYP11B2 (0.60) OGFRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9685823 0.73 RPS6KB1 (0.47) CYP1A2CYP2D6OGFRL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058376-A1 PIPERIDINES ICAGEN, INC. (US) 2008-03-06 US disclosed
US-7244744-B2 Piperidines ICAGEN, INC. (US) 2007-07-17 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-20080058376-A1 PIPERIDINES TRPV3, SCN3A, TRPV1 CYP1A2 3200/4885CYP3A4 3795/4885CYP2D6 3504/4885

“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.