SCHEMBL13063404

SCHEMBL13063404

Cn1c(=O)oc2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cc(C#N)cc(CF)c4)C3)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCHR1 Q99705 3/20 0.32
TP53 P04637 1/20 0.32
KCNH2 Q12809 2/20 0.31
CHRM4 P08173 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MCHR2 Q969V1 1/20 0.31
METAP2 P50579 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL3784521 0.92 CCR2 (0.38) SMN1; SMN2MEN1KMT2AKCNH2CHRM4
Hydrochloric Acid SCHEMBL3782275 0.91 CCR2 (0.38) SMN1; SMN2MEN1KMT2AKCNH2CHRM4
SCHEMBL13806694 0.85 TACR1 (0.37) SMN1; SMN2MEN1KMT2AKCNH2CHRM4
SCHEMBL3790440 0.84 CCR2 (0.43) GAASMN1; SMN2KCNH2CYP3A4CYP2D6
SCHEMBL3784130 0.80 CCR2 (0.43) GAASMN1; SMN2KCNH2CYP2D6
SCHEMBL3787224 0.79 CCR2 (0.39) SMN1; SMN2MEN1KMT2AMCHR1KCNH2
SCHEMBL13063405 0.73 PARP1 (0.47) KMT2AMCHR1KCNH2MCHR2
SCHEMBL13063421 0.71 CCR2 (0.43) GAASMN1; SMN2MCHR1KCNH2CYP3A4
SCHEMBL3788883 0.71 CCR2 (0.43) GAASMN1; SMN2MCHR1KCNH2CYP3A4
SCHEMBL3791324 0.70 CCR2 (0.45) KCNH2CYP3A4CYP2D6MCHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CTSC 430/4885GAA 3620/4885SMN1; SMN2 3522/4885

“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.