Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4226583

COc1cccc2c1C[C@@H](NCC(=O)N(c1ccccc1)c1ccccc1)CC2.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.53
MTNR1B P49286 7/20 0.53
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
DRD2 P14416 3/20 0.48
DRD3 P35462 2/20 0.48
HTR1D P28221 1/20 0.48
DRD4 P21917 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44

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
Hydrochloric Acid SCHEMBL4235489 0.77 GRIN2B (0.52) MTNR1AMTNR1BCYP1A2CYP2C9CA1
SCHEMBL7926562 0.76 MTNR1A (0.64) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL7926558 0.75 MTNR1A (0.63) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL4217159 0.74 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL4226587 0.74 MTNR1A (0.50) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL7935435 0.72 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8074280 0.72 DRD2 (0.83) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8074250 0.72 DRD2 (0.83) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7543711 0.72 DRD2 (0.83) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9241035 0.72 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 MTNR1A 2710/4885MTNR1B 2160/4885CYP1A2 604/4885

“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.