SCHEMBL625405

SCHEMBL625405

CCOC(=O)C(C#N)C1(c2ccccc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
OPRM1 P35372 7/20 0.43
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
SLC6A4 P31645 2/20 0.42
SLC22A1 O15245 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNA3 P22001 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL19357459 0.97 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL15577194 0.88 NPSR1 (0.45) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL15577280 0.88 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL627890 0.87 OPRM1 (0.43) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL15011161 0.87 SLC6A4 (0.46) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL6264708 0.86 OPRM1 (0.43) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL15010843 0.85 MAPT (0.39) SMN1; SMN2MEN1KMT2AGAASLC6A4
SCHEMBL625932 0.85 LMNA (0.42) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL15862872 0.85 GAA (0.41) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL19031287 0.85 HDAC4 (0.43) SMN1; SMN2MEN1KMT2AGAAOPRM1

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 SMN1; SMN2 3887/4885MEN1 4188/4885KMT2A 4568/4885

“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.