SCHEMBL3337301

SCHEMBL3337301

CN1CCN(C2CCN(C(=O)[C@@H](Cc3ccc(C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)F)c3)NC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.58
CYP3A4 P08684 16/20 0.58
RAMP1 O60894 1/20 0.57

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
SCHEMBL14374027 0.94 CALCRL (0.67) CALCRLCYP3A4
SCHEMBL3343945 0.93 CALCRL (0.61) CALCRLCYP3A4RAMP1
SCHEMBL6227356 0.91 CALCRL (0.54) CALCRLCYP3A4RAMP1
SCHEMBL3279298 0.90 CALCRL (0.60) CALCRLCYP3A4RAMP1
SCHEMBL3278133 0.90 CALCRL (0.58) CALCRLCYP3A4RAMP1
SCHEMBL3310641 0.88 CALCRL (0.70) CALCRLCYP3A4RAMP1
SCHEMBL3277660 0.88 CALCRL (0.57) CALCRLCYP3A4RAMP1
SCHEMBL3285519 0.88 CALCRL (0.57) CALCRLCYP3A4RAMP1
SCHEMBL3285114 0.87 CALCRL (0.65) CALCRLCYP3A4RAMP1
SCHEMBL3278986 0.87 CALCRL (0.62) CALCRLCYP3A4RAMP1

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 9 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-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

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 2631/4885RAMP1 36/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CALCRL 1/4885CYP3A4 2631/4885RAMP1 36/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA CALCRL 4/4885CYP3A4 2140/4885RAMP1 17/4885

“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.