Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL837743

Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.51
RAMP1 O60894 13/20 0.51

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
SCHEMBL978566 0.91 CALCRL (0.50) CALCRLRAMP1
SCHEMBL838209 0.91 CALCRL (0.50) CALCRLRAMP1
SCHEMBL31039442 0.91 CALCRL (0.50) CALCRLRAMP1
SCHEMBL977185 0.91 CALCRL (0.50) CALCRLRAMP1
Trifluoroacetic Acid SCHEMBL836199 0.84 CALCRL (0.47) CALCRLRAMP1
SCHEMBL3694253 0.81 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29518081 0.81 CALCRL (0.61) CALCRLRAMP1
SCHEMBL31084957 0.81 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29559656 0.81 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29997203 0.81 CALCRL (0.61) CALCRLRAMP1

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
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
EP-2146572-B1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
EP-2326176-B1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 EP disclosed
EP-2091533-B1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-28 EP disclosed
US-8173655-B2 Bicyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-05-08 US disclosed
US-8163752-B2 Tricyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-04-24 US disclosed
US-8143266-B2 Aryl heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
US-20110306626-A1 IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS Merck, Sharp & Dohme Corp. 2011-12-15 US disclosed
US-7951795-B2 Constrained spirocyclic compounds as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-31 US disclosed
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 US disclosed
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-03 US disclosed
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-05-13 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
US-20100069359-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-18 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 (6 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-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS CCKAR, CALCRL, CCKBR CALCRL 2/4885RAMP1 169/4885
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCRL 4/4885RAMP1 40/4885
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 CALCRL 4/4885RAMP1 60/4885
US-20110306626-A1 IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB2, CALCR CALCRL 1/4885RAMP1 103/4885
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCRL 5/4885RAMP1 42/4885
US-20100069359-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB1, CALCR CALCRL 1/4885RAMP1 20/4885

“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.