SCHEMBL6045501

SCHEMBL6045501

Cc1ccccc1NC1(C#N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
OPRM1 P35372 1/20 0.52
RECQL P46063 1/20 0.49
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
OPRL1 P41146 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL9376659 0.85 SMN1; SMN2 (0.53) SMN1; SMN2OPRM1ALDH1A1TSHRCYP3A4
SCHEMBL25389653 0.85 SMN1; SMN2 (0.53) SMN1; SMN2OPRM1ALDH1A1TSHRCYP3A4
SCHEMBL2985757 0.82 SMN1; SMN2 (0.75) SMN1; SMN2OPRM1ALDH1A1TSHRCYP3A4
SCHEMBL7706443 0.82 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1ALDH1A1CYP3A4HSD17B10
SCHEMBL15026729 0.81 SMN1; SMN2 (0.53) SMN1; SMN2OPRM1RECQLALDH1A1TSHR
SCHEMBL5242605 0.81 OPRM1 (0.60) SMN1; SMN2OPRM1ALDH1A1TSHRCYP3A4
SCHEMBL16876702 0.81 SMN1; SMN2 (0.55) SMN1; SMN2OPRM1CYP3A4HSD17B10POLB
SCHEMBL7705959 0.79 SMN1; SMN2 (0.59) SMN1; SMN2OPRM1ALDH1A1POLBLMNA
SCHEMBL16876738 0.79 SMN1; SMN2 (0.53) SMN1; SMN2OPRM1CYP3A4HSD17B10POLB
SCHEMBL15461526 0.79 CYP2D6 (0.59) SMN1; SMN2OPRM1ALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP disclosed
EP-0921125-B1 1,3,8-Triazaspiro[4,5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2002-01-30 EP 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR SMN1; SMN2 2715/4885OPRM1 148/4885RECQL 3389/4885

“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.