SCHEMBL6790663

SCHEMBL6790663

FC(F)(F)c1cccc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PLAT P00750 2/20 0.41
AURKA O14965 1/20 0.40
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1D P28221 1/20 0.36
HTR3A P46098 1/20 0.36

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
SCHEMBL6790660 1.00 HTR2C (0.45) HTR2CMEN1POLBKMT2AKDM1A
SCHEMBL6787663 0.92 HTR2C (0.40) HTR2CMEN1POLBKMT2AKDM1A
SCHEMBL6787660 0.92 HTR2C (0.40) HTR2CMEN1POLBKMT2AKDM1A
SCHEMBL6782255 0.84 PLAT (0.39) PLATHTR1AHTR7SLC6A2SLC6A4
SCHEMBL6782257 0.84 PLAT (0.39) PLATHTR1AHTR7SLC6A2SLC6A4
SCHEMBL6791107 0.83 PLAT (0.44) PLATPIM1
SCHEMBL6791101 0.83 PLAT (0.44) PLATPIM1
SCHEMBL6790777 0.83 BRD4 (0.40) HTR1AHTR7SLC6A2SLC6A4
SCHEMBL6790774 0.83 BRD4 (0.40) HTR1AHTR7SLC6A2SLC6A4
SCHEMBL6790499 0.81 HTR2C (0.41) HTR2CKDM1AHTR1AHTR7

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 HTR2C 6/4885MEN1 959/4885POLB 4160/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885MEN1 959/4885POLB 4160/4885

“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.