Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3136228

CCC(NC(C)=O)c1cc(Cl)ccc1C1CC2CCC(C1)N2C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1c1ccc(F)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MC4R P32245 20/20 0.74
MC3R P41968 8/20 0.74
MC5R P33032 7/20 0.68

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
SCHEMBL14376345 0.97 MC4R (0.79) MC4RMC3RMC5R
SCHEMBL14376305 0.97 MC4R (0.79) MC4RMC3RMC5R
SCHEMBL13270736 0.97 MC4R (0.79) MC4RMC3RMC5R
SCHEMBL14376413 0.91 MC4R (0.72) MC4RMC3RMC5R
SCHEMBL14376410 0.91 MC4R (0.72) MC4RMC3RMC5R
Hydrochloric Acid SCHEMBL3134452 0.90 MC4R (0.72) MC4RMC3RMC5R
SCHEMBL14376411 0.90 MC4R (0.69) MC4RMC3RMC5R
SCHEMBL14401568 0.88 MC4R (0.66) MC4RMC3RMC5R
SCHEMBL14376307 0.88 MC4R (0.66) MC4RMC3RMC5R
SCHEMBL27403510 0.88 MC4R (0.66) MC4RMC3RMC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610789-B1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2010-07-21 EP disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-20060194780-A1 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-08-31 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-20060194780-A1 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R MC4R 1/4885MC3R 3/4885MC5R 2/4885

“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.