SCHEMBL5163060

SCHEMBL5163060

CCN1CCC(N2CCN(C(=O)[C@@H](Cc3cc(Br)c(N)c(Br)c3)NC(=O)N3CCC(n4cc(-c5cccc(C(F)(F)F)c5)[nH]c4=O)CC3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 15/20 0.48
CYP3A4 P08684 4/20 0.47
RAMP1 O60894 1/20 0.43
CALCA P06881 5/20 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
SCHEMBL4607176 0.95 CALCRL (0.48) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3960870 0.94 CALCRL (0.49) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3958339 0.92 CALCRL (0.54) CALCRLCYP3A4CALCA
SCHEMBL3961964 0.92 CALCRL (0.54) CALCRLCYP3A4CALCA
SCHEMBL4069296 0.91 CALCRL (0.48) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3967230 0.89 CALCRL (0.49) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3964429 0.89 CALCRL (0.54) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3961202 0.87 CALCRL (0.62) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3957902 0.87 CALCRL (0.62) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3962373 0.85 CALCRL (0.56) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517674-B1 PREPARATIONS FOR THE INTRANASAL APPLICATION OF SELECTED CGRP ANTAGONISTS DERIVED FROM AMINO ACIDS AND A METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2007-04-11 EP claimed
EP-1769790-A1 Preparations for the intranasal application of selected CGRP antagonists derived from amino acids Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP claimed
US-20060193786-A1 Pharmaceutical composition for intranasal administration containing a CGRP antagonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US claimed
US-20050233980-A1 CGRP-antagonist in combination with a serotonin-reuptake inhibitor for the treatment of migraine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
US-20050032783-A1 Use of CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-10 US claimed
EP-1207884-B1 USE OF CGRP ANTAGONISTS AND CGRP RELEASE INHIBITORS FOR CONTROLLING MENOPAUSAL HOT FLASHES BOEHRINGER INGELHEIM PHARMA (DE) 2004-11-03 EP claimed
US-20040076587-A1 Pharmaceutical composition for intranasal administration containing a CGRP antagonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 US claimed
US-6521609-B1 Using such as amino acid derivatives or serotonin receptor agonists; side effect reduction BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-18 US claimed
EP-1517674-B1 PREPARATIONS FOR THE INTRANASAL APPLICATION OF SELECTED CGRP ANTAGONISTS DERIVED FROM AMINO ACIDS AND A METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2007-04-11 EP disclosed
EP-1769790-A1 Preparations for the intranasal application of selected CGRP antagonists derived from amino acids Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP disclosed
US-20060193786-A1 Pharmaceutical composition for intranasal administration containing a CGRP antagonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
US-20050032783-A1 Use of CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-10 US disclosed
EP-1207884-B1 USE OF CGRP ANTAGONISTS AND CGRP RELEASE INHIBITORS FOR CONTROLLING MENOPAUSAL HOT FLASHES BOEHRINGER INGELHEIM PHARMA (DE) 2004-11-03 EP disclosed
US-20040076587-A1 Pharmaceutical composition for intranasal administration containing a CGRP antagonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 US disclosed
US-6521609-B1 Using such as amino acid derivatives or serotonin receptor agonists; side effect reduction BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-18 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 (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-20050233980-A1 CGRP-antagonist in combination with a serotonin-reuptake inhibitor for the treatment of migraine SLC6A4, SLC6A2, HTR3B CALCRL 26/4885CYP3A4 2585/4885RAMP1 143/4885

“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.