SCHEMBL3876080

SCHEMBL3876080

O=C(O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCA P06881 2/20 0.71
CALCRL Q16602 19/20 0.55
RAMP1 O60894 5/20 0.55
CYP3A4 P08684 11/20 0.53

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
SCHEMBL3873446 0.93 CALCA (0.61) CALCACALCRLRAMP1CYP3A4
SCHEMBL6376004 0.92 CALCA (0.82) CALCACALCRLRAMP1CYP3A4
SCHEMBL18822188 0.92 CALCA (0.82) CALCACALCRLRAMP1CYP3A4
SCHEMBL3877415 0.92 CALCA (0.60) CALCACALCRLRAMP1CYP3A4
SCHEMBL3520941 0.86 CALCA (0.56) CALCACALCRLRAMP1CYP3A4
SCHEMBL3520944 0.86 CALCA (0.56) CALCACALCRLRAMP1CYP3A4
SCHEMBL13313706 0.86 CALCA (0.62) CALCACALCRLRAMP1CYP3A4
SCHEMBL3877936 0.86 CALCA (0.53) CALCACALCRLRAMP1CYP3A4
SCHEMBL3277861 0.86 CALCRL (0.57) CALCACALCRLRAMP1CYP3A4
SCHEMBL3277851 0.86 CALCRL (0.57) CALCACALCRLRAMP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538115-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-26 US disclosed
EP-1487821-B1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2007-03-21 EP disclosed
US-7026312-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-04-11 US disclosed
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-09-29 US disclosed
EP-1487821-A1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-12-22 EP disclosed
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2003-12-25 US disclosed
WO-2003076432-A1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-18 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 (2 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-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX5, CALCRL, ADRA1D CALCA 6/4885CALCRL 2/4885RAMP1 35/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 CALCA 16/4885CALCRL 8/4885RAMP1 51/4885

“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.