SCHEMBL3282744

SCHEMBL3282744

CCc1cc(C[C@@H](NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N(C)C)CC2)ccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.52
CYP3A4 P08684 16/20 0.52
CALCA P06881 1/20 0.49
RAMP1 O60894 1/20 0.47

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
SCHEMBL3278597 0.94 CALCRL (0.52) CALCRLCYP3A4CALCARAMP1
SCHEMBL3282969 0.92 CALCRL (0.55) CALCRLCYP3A4CALCA
SCHEMBL3285685 0.92 CALCRL (0.52) CALCRLCYP3A4CALCARAMP1
SCHEMBL6223544 0.91 CALCRL (0.45) CALCRLCYP3A4CALCARAMP1
SCHEMBL3278133 0.91 CALCRL (0.58) CALCRLCYP3A4RAMP1
SCHEMBL3278702 0.91 CALCRL (0.64) CALCRLCYP3A4
SCHEMBL13303331 0.91 CALCRL (0.55) CALCRLCYP3A4CALCA
SCHEMBL3285519 0.91 CALCRL (0.57) CALCRLCYP3A4RAMP1
SCHEMBL13331687 0.89 CALCRL (0.58) CALCRLCYP3A4CALCARAMP1
SCHEMBL13713222 0.86 CALCA (0.57) CALCRLCYP3A4CALCARAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US claimed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US claimed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US claimed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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 (3 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-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CALCRL 1/4885CYP3A4 2631/4885CALCA 3/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CALCRL 1/4885CYP3A4 2631/4885CALCA 3/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA CALCRL 4/4885CYP3A4 2140/4885CALCA 3/4885

“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.