SCHEMBL13698238

SCHEMBL13698238

Cc1ccc(C2CCNC2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
HTR6 P50406 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL30735559 0.90 HTR2C (0.62) HTR2CHTR6CYP1A2
SCHEMBL19284647 0.90 HTR2C (0.62) HTR2CHTR6CYP1A2
Hydrochloric Acid SCHEMBL19284627 0.88 HTR2C (0.64) HTR2CHTR6CYP1A2
SCHEMBL30735579 0.83 HTR2C (0.69) HTR2CHTR6CYP1A2
SCHEMBL19284644 0.83 HTR2C (0.69) HTR2CHTR6CYP1A2
Hydrochloric Acid SCHEMBL19284683 0.81 HTR2C (0.70) HTR2CHTR6CYP1A2
SCHEMBL13698221 0.80 HTR6 (0.44) HTR2CHTR6
SCHEMBL10085450 0.80 CYP1A2 (0.56) HTR2CHTR6CYP1A2
SCHEMBL30449404 0.80 CYP1A2 (0.56) HTR2CHTR6CYP1A2
SCHEMBL8878356 0.79 MTNR1A (0.53) HTR2CHTR6

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-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2012-11-29 US disclosed
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2009-09-17 US disclosed
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2007-04-12 US 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 (3 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-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C HTR2C 3/4885HTR6 11/4885CYP1A2 188/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C HTR2C 3/4885HTR6 11/4885CYP1A2 188/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C HTR2C 3/4885HTR6 11/4885CYP1A2 188/4885

“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.