Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6473797

O=C(Cn1c2c(c3ccccc31)CCNCC2)Nc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.48
KDM4E B2RXH2 3/20 0.47
GLA P06280 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 7/20 0.44
HDAC1 Q13547 4/20 0.44
LMNA P02545 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HTR6 P50406 2/20 0.42
MPO P05164 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL6482533 0.86 KDM4E (0.53) PTGDR2KDM4EGLAHSD17B10MEN1
SCHEMBL6483379 0.82 ALDH1A1 (0.46) PTGDR2KDM4EGLAHSD17B10MEN1
Hydrochloric Acid SCHEMBL6475346 0.82 RORC (0.50) PTGDR2KDM4EGLAHSD17B10MEN1
Hydrochloric Acid SCHEMBL6482029 0.82 SMN1; SMN2 (0.57) KDM4EMEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL6474274 0.82 MPO (0.53) MEN1KMT2AALDH1A1POLBHTR6
Trifluoroacetic Acid SCHEMBL6422705 0.81 HDAC6 (0.52) PTGDR2KDM4EGLAHSD17B10MEN1
Hydrochloric Acid SCHEMBL6482901 0.79 HPGD (0.50) KDM4EGLAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6475586 0.79 MAPT (0.55) KDM4EMEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL6474816 0.79 LMNA (0.41) PTGDR2KDM4EHDAC6LMNAALDH1A1
Hydrochloric Acid SCHEMBL6483248 0.79 ALDH1A1 (0.52) KDM4EHSD17B10MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US disclosed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US disclosed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US disclosed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO 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 (4 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E PTGDR2 234/4885KDM4E 1122/4885GLA 3645/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 PTGDR2 363/4885KDM4E 927/4885GLA 4245/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E PTGDR2 234/4885KDM4E 1122/4885GLA 3645/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 PTGDR2 363/4885KDM4E 927/4885GLA 4245/4885

“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.