SCHEMBL6791418

SCHEMBL6791418

FC(F)(F)Oc1ccc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
EPHX1 P07099 1/20 0.37
GRIN2B Q13224 3/20 0.35
NISCH Q9Y2I1 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
ABL1 P00519 1/20 0.34
HTR2C P28335 2/20 0.33
PLAT P00750 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
PRKDC P78527 1/20 0.32

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
SCHEMBL6791416 1.00 KDM1A (0.38) KDM1AMAOBEPHX1GRIN2BNISCH
SCHEMBL6791101 0.89 PLAT (0.44) ABL1PLATCTSLCTSBCTSS
SCHEMBL6791107 0.89 PLAT (0.44) ABL1PLATCTSLCTSBCTSS
SCHEMBL6787744 0.84 HTR1A (0.43) KDM1AMAOBABL1HTR2CPLAT
SCHEMBL6787739 0.84 HTR1A (0.43) KDM1AMAOBABL1HTR2CPLAT
SCHEMBL6785859 0.83 LCK (0.39) NISCH
SCHEMBL6785861 0.83 LCK (0.39) NISCH
SCHEMBL6785602 0.83 HTR7 (0.40) HTR2CPLATHTR2A
SCHEMBL6785604 0.83 HTR7 (0.40) HTR2CPLATHTR2A
SCHEMBL7195831 0.82 PLAT (0.41) PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US 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 (2 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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KDM1A 1930/4885MAOB 125/4885EPHX1 1706/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM1A 1930/4885MAOB 125/4885EPHX1 1706/4885

“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.