Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6463642

Cc1cc(N[C@H]2CC[C@@H](NCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.64
ADRA2A P08913 11/20 0.64
NPY5R Q15761 7/20 0.54
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR6 P46095 1/20 0.43
EPHX2 P34913 1/20 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
SCHEMBL6831058 0.85 MCHR1 (0.67) MCHR1ADRA2ANPY5REPHX2
SCHEMBL6457443 0.84 MCHR1 (0.73) MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL6457665 0.84 MCHR1 (0.72) MCHR1ADRA2ANPY5R
Trifluoroacetic Acid SCHEMBL6461543 0.83 LMNA (0.45) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3942974 0.83 MCHR1 (0.69) MCHR1ADRA2ANPY5REPHX2
SCHEMBL13793602 0.78 MCHR1 (0.77) MCHR1ADRA2ANPY5REPHX2
Trifluoroacetic Acid SCHEMBL6458433 0.78 MCHR1 (0.53) MCHR1KDM4ELMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6615670 0.78 MCHR1 (0.56) MCHR1ADRA2ANPY5REPHX2
Trifluoroacetic Acid SCHEMBL6455648 0.78 KDM4E (0.52) MCHR1KDM4ELMNASMN1; SMN2GPR6
SCHEMBL3937209 0.78 MCHR1 (1.00) MCHR1ADRA2ANPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885ADRA2A 117/4885NPY5R 8/4885

“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.