SCHEMBL403404

SCHEMBL403404

CCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.56
CHRM4 P08173 3/20 0.56
CHRM2 P08172 1/20 0.56
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
SMO Q99835 1/20 0.53
CHRM5 P08912 3/20 0.51
CHRM3 P20309 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48

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
SCHEMBL4969481 0.94 CHRM1 (0.52) CHRM1CHRM4CHRM2RAB9ANPC1
SCHEMBL404119 0.92 CHRM1 (0.66) CHRM1CHRM4CHRM2RAB9ANPC1
SCHEMBL402855 0.89 SMO (0.52) RAB9ANPC1SMOSMN1; SMN2L3MBTL1
SCHEMBL403537 0.88 SMO (0.54) RAB9ANPC1SMOSMN1; SMN2L3MBTL1
SCHEMBL10238342 0.88 TSHR (0.61) CHRM1CHRM4CHRM2RAB9ANPC1
SCHEMBL402516 0.88 SMO (0.70) CHRM1CHRM4CHRM2RAB9ANPC1
SCHEMBL10238482 0.86 SMO (0.53) RAB9ANPC1SMOSMN1; SMN2L3MBTL1
SCHEMBL403550 0.86 HDAC2 (0.64) RAB9ANPC1SMOSMN1; SMN2L3MBTL1
SCHEMBL4975172 0.85 CHRM1 (0.56) CHRM1CHRM4CHRM2RAB9ANPC1
SCHEMBL402833 0.85 SMO (0.50) RAB9ANPC1SMOSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP claimed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US claimed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US claimed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP claimed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO claimed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 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-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO CHRM1 3861/4885CHRM4 4317/4885CHRM2 3809/4885

“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.