SCHEMBL624010

SCHEMBL624010

N#CC1(c2ccc(Cc3ccccc3)cc2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.54
IL4I1 Q96RQ9 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
OPRL1 P41146 3/20 0.46
OPRD1 P41143 1/20 0.42
CALM1 P0DP23 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL872608 0.83 OPRM1 (0.56) OPRM1MEN1KMT2ANPC1ALDH1A1
SCHEMBL624811 0.80 NPC1 (0.51) OPRM1MEN1KMT2ANPC1ALDH1A1
SCHEMBL2277113 0.80 MAOB (0.55) OPRM1RAB9ASMN1; SMN2LMNA
SCHEMBL56575 0.79 NPC1 (0.57) OPRM1MEN1KMT2ANPC1ALDH1A1
SCHEMBL10227286 0.79 CYP2A6 (0.44) OPRM1IL4I1MEN1KMT2ANPC1
SCHEMBL19249603 0.77 NPC1 (0.55) OPRM1MEN1KMT2ANPC1ALDH1A1
SCHEMBL181145 0.77 NPC1 (0.55) OPRM1MEN1KMT2ANPC1ALDH1A1
SCHEMBL18768887 0.77 NPC1 (0.55) OPRM1MEN1KMT2ANPC1ALDH1A1
SCHEMBL6211633 0.76 MAOB (0.55) OPRM1MEN1KMT2ANPC1ALDH1A1
SCHEMBL624584 0.76 KMT2A (0.48) OPRM1MEN1KMT2ANPC1ALDH1A1

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-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 OPRM1 121/4885IL4I1 3317/4885MEN1 4188/4885

“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.