SCHEMBL7228076

SCHEMBL7228076

CC(=O)C1CNc2ccc(Cl)cc2CN1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.38
AHR P35869 1/20 0.36
PNMT P11086 3/20 0.35
NOTUM Q6P988 2/20 0.35
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
TGM2 P21980 1/20 0.33
HSD17B3 P37058 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ATM Q13315 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
SCHEMBL7236543 0.79 MTNR1A (0.47) NOTUMHSD17B3
SCHEMBL7905314 0.77 HTR2C (0.40) AHRPNMTHTR2AHTR2CHTR2B
SCHEMBL13889887 0.73 GAA (0.42) HDAC8AHRNOTUMIDO1TDO2
SCHEMBL2732954 0.67 PNMT (0.53) HDAC8PNMT
SCHEMBL31369850 0.67 PNMT (0.45) PNMT
SCHEMBL31553578 0.67 PNMT (0.53) HDAC8PNMT
SCHEMBL6615945 0.67 MEN1 (0.68) HTR2A
SCHEMBL6633687 0.67 MEN1 (0.68) HTR2A
Hydrochloric Acid SCHEMBL32676699 0.66 PNMT (0.51) HDAC8PNMT
SCHEMBL20582071 0.66 AHR (0.54) AHRPNMTTGM2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6503900-B2 For treatment or prevention of disorders such as obsessive-compulsive disorder, depression, anxiety, schizophrenia WYETH 2003-01-07 US disclosed
US-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-07-04 US disclosed
WO-2002036596-A2 CYCLOALKYL[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2002-05-10 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 (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-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives GRIK1, GRIK3, GRIK4 HDAC8 244/4885AHR 164/4885PNMT 1293/4885

“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.