SCHEMBL17075153

SCHEMBL17075153

O=C1CC(C2CC2(F)F)c2cccc3c2N1CCNC3

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.45
HTR2B P41595 9/20 0.43
HTR2A P28223 6/20 0.43
HTR6 P50406 3/20 0.33

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
SCHEMBL17075194 0.77 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL17075130 0.77 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL8268025 0.72 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL11884369 0.70 HTR2C (0.50) HTR2CHTR2BHTR2A
SCHEMBL8266078 0.68 HTR2C (0.66) HTR2CHTR2BHTR2A
SCHEMBL15522685 0.65 HTR2C (0.63) HTR2CHTR2BHTR2A
SCHEMBL8267029 0.65 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL15522728 0.64 HTR2C (0.50) HTR2CHTR2BHTR2A
SCHEMBL17075155 0.64 PARP1 (0.39) HTR2CHTR2BHTR2A
SCHEMBL4354520 0.64 HTR2C (0.64) HTR2CHTR2BHTR2A

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
EP-3116873-B1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A CYCLIC RADICAL ABBVIE DEUTSCHLAND (DE) 2018-02-28 EP disclosed
US-20170158693-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A CYCLIC RADICAL ABBVIE DEUTSCHLAND (DE) 2017-06-08 US disclosed
US-9573950-B2 Substituted [1,4]diazepino[6,7,1-ij]quinolines as serotonin 5-HT2C receptor modulators ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2017-02-21 US disclosed
EP-3116873-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A CYCLIC RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2017-01-18 EP disclosed
US-20150259343-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A CYCLIC RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-17 US disclosed
WO-2015136090-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A CYCLIC RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-17 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-20170158693-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A CYCLIC RADICAL HTR2C, HTR2A, HTR5A HTR2C 1/4885HTR2B 8/4885HTR2A 2/4885
US-20150259343-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A CYCLIC RADICAL HTR2C, HTR2A, HTR5A HTR2C 1/4885HTR2B 8/4885HTR2A 2/4885

“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.