SCHEMBL17075249

SCHEMBL17075249

FC(F)(F)[C@H]1CCN2CCNCc3cccc1c32

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.58
HTR2B P41595 11/20 0.58
HTR2A P28223 8/20 0.58

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
SCHEMBL17075237 1.00 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL17075247 1.00 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL17075259 0.81 HTR2C (0.80) HTR2CHTR2BHTR2A
SCHEMBL17075214 0.81 HTR2C (0.80) HTR2CHTR2BHTR2A
SCHEMBL17075224 0.81 HTR2C (0.80) HTR2CHTR2BHTR2A
SCHEMBL17075268 0.80 HTR2C (0.57) HTR2CHTR2BHTR2A
SCHEMBL17075229 0.80 HTR2C (0.57) HTR2CHTR2BHTR2A
SCHEMBL17075186 0.80 HTR2C (0.57) HTR2CHTR2BHTR2A
SCHEMBL17075128 0.78 HTR2C (0.70) HTR2CHTR2BHTR2A
SCHEMBL17075139 0.78 HTR2C (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116874-B1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL ABBVIE DEUTSCHLAND (DE) 2018-02-28 EP claimed
US-20170112851-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2017-04-27 US claimed
US-9540376-B2 Hexahydrodiazepinoquinolines carrying a substituted alkyl radical AbbVie Deutschland GmbH & Co. KG (DE) 2017-01-10 US claimed
US-20150259346-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-17 US claimed

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-20170112851-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL HTR2C, HTR2A, HTR3C HTR2C 1/4885HTR2B 7/4885HTR2A 2/4885
US-20150259346-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL HTR2C, HTR2A, HTR3C HTR2C 1/4885HTR2B 7/4885HTR2A 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.