Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6217291

NC(=O)C1=CCCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
SLC6A1 P30531 1/20 0.58
SLC6A13 Q9NSD5 1/20 0.58
BLM P54132 1/20 0.56
CHRM3 P20309 1/20 0.47
PNMT P11086 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.30
GABRR1 P24046 2/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30

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
SCHEMBL6215781 0.88
Hydrochloric Acid SCHEMBL5245635 0.86 BLM (0.68) TSHRSLC6A1SLC6A13BLMCHRM3
Guvacine SCHEMBL336053 0.74
Trifluoroacetic Acid SCHEMBL6215734 0.73 TSHR (0.58) TSHRBLMPNMTPKMGABRR1
Trifluoroacetic Acid SCHEMBL30194735 0.72 L3MBTL1 (0.36) TSHRSLC6A1SLC6A13BLML3MBTL1
Guvacine SCHEMBL1057880 0.72 BLM (1.00) TSHRSLC6A1SLC6A13BLMCHRM3
Guvacine SCHEMBL9569008 0.72 TSHR (0.96) TSHRSLC6A1SLC6A13BLMCHRM3
SCHEMBL9569044 0.72 TSHR (0.72) TSHRSLC6A1SLC6A13BLMCHRM3
SCHEMBL14993198 0.71 TSHR (0.55) TSHRSLC6A1SLC6A13BLMCHRM3
Trifluoroacetic Acid SCHEMBL17243108 0.69 F2 (0.42) TSHRSLC6A1SLC6A13BLMCHRM3

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
EP-1176146-B1 CARBAMOYL TETRAHYDROPYRIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2005-06-08 EP disclosed
US-6894168-B2 Carbamoyl tetrahydropyridine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-05-17 US disclosed
EP-1449843-A1 Intermediates for the preparation of carbamoyl tetrahydropyridine derivatives Taisho Pharmaceutical Co. Ltd. (JP) 2004-08-25 EP disclosed
US-20030191122-A1 Carbamoyl tetrahydropyridine derivatives NAKAZATO ATSURO (JP) 2003-10-09 US disclosed
US-6600038-B1 Intermediates for the preparation thereof are provided. The derivatives described above are effective for diseases which are believed to involve CRF. involving Corticotropin Releasing Factor (CRF), such as depression, anxiety, TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-07-29 US disclosed
CN-1350536-A Carbamoyl tetrahydropyridine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2002-05-22 CN disclosed
EP-1176146-A1 CARBAMOYL TETRAHYDROPYRIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-01-30 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-20030191122-A1 Carbamoyl tetrahydropyridine derivatives CNR1, CRHR1, CRH TSHR 443/4885SLC6A1 794/4885SLC6A13 1954/4885

“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.