SCHEMBL11956595

SCHEMBL11956595

O=C(CN1C(=O)C2(CC3(COC3)C2)NCC1c1cc(F)cc(F)c1)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.70
RAMP1 O60894 7/20 0.70
CALCA P06881 1/20 0.70
RAMP3 O60896 1/20 0.47
CALCR P30988 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
SCHEMBL11956596 0.93 CALCRL (0.71) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL11956585 0.93 CALCRL (0.71) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL11956591 0.91 CALCRL (0.82) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL13993515 0.91 CALCRL (0.84) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL13601547 0.91 CALCRL (0.84) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL11956656 0.90 CALCRL (0.57) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL11956593 0.85 CALCRL (0.82) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL11956651 0.84 CALCRL (0.57) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL11896296 0.84 CALCRL (0.83) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL11956584 0.84 CALCRL (0.83) CALCRLRAMP1CALCARAMP3CALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765763-B2 Substituted piperazines as CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8765763-B2 Substituted piperazines as CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-20120196872-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20120196872-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 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-20120196872-A1 NEW 5-ALKYNYL-PYRIDINES CALCR, CALCRL, P2RX5 CALCRL 2/4885RAMP1 84/4885CALCA 16/4885

“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.