SCHEMBL625332

SCHEMBL625332

CCOC(=O)C(C#N)=C1CCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 4/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 9/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 2/20 0.47
MAPK1 P28482 3/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CYP2C9 P11712 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL3634417 0.96 MEN1 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL362584 0.95 MEN1 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL14626678 0.95 MEN1 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL13310876 0.95 MEN1 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL25057561 0.86 KMT2A (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8198931 0.86 MAPT (0.50) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8202715 0.86 KMT2A (0.49) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5370952 0.85 KMT2A (0.53) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15577187 0.85 MAPT (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20825386 0.84 MEN1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1

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 MEN1 4188/4885KMT2A 4568/4885MAPT 3652/4885

“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.