SCHEMBL623994

SCHEMBL623994

N#CC1(c2ccncc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
OPRM1 P35372 4/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 1/20 0.38
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL89510 0.96 ALDH1A1 (0.43) RETMAP3K20RIPK3OPRM1NPC1
SCHEMBL5203181 0.94 ALDH1A1 (0.42) RETMAP3K20RIPK3OPRM1NPC1
SCHEMBL5201558 0.91 OPRM1 (0.42) RETMAP3K20RIPK3OPRM1CA12
SCHEMBL14862636 0.82 OPRM1 (0.37) OPRM1CA12CA1CA2CA9
SCHEMBL23778354 0.81 PDE4A (0.42) RETMAP3K20RIPK3OPRM1MEN1
Hydrochloric Acid SCHEMBL8355569 0.81 OPRM1 (0.39) RETMAP3K20RIPK3OPRM1ALDH1A1
SCHEMBL17146951 0.80 OPRM1 (0.38) OPRM1MEN1KMT2A
SCHEMBL3321621 0.80 OPRM1 (0.66) OPRM1KMT2A
SCHEMBL31417097 0.79 OPRM1 (0.34) RETMAP3K20RIPK3OPRM1
SCHEMBL872608 0.78 OPRM1 (0.56) OPRM1NPC1ALDH1A1RAB9ASMN1; SMN2

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 RET 2024/4885MAP3K20 2049/4885RIPK3 885/4885

“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.