SCHEMBL13698265

SCHEMBL13698265

Fc1ccc(C2CCNC2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
HTR3A P46098 1/20 0.51
HTR2C P28335 8/20 0.46
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE4B Q07343 1/20 0.42
NOTUM Q6P988 1/20 0.41
HTR2B P41595 2/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1E P28566 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL4949183 0.90 HTR2C (0.57) HTR2AHTR3AHTR2CSLC6A2SLC6A4
SCHEMBL16660426 0.82 HTR3A (0.59) HTR2AHTR3ACYP2D6SLC6A2SLC6A4
SCHEMBL724585 0.82 HTR3A (0.59) HTR2AHTR3ACYP2D6SLC6A2SLC6A4
SCHEMBL28294833 0.81 KDM1A (0.43) HTR2AHTR2CNOTUM
SCHEMBL18161909 0.81 KDM1A (0.43) HTR2AHTR2CNOTUM
SCHEMBL4882952 0.80 P2RY14 (0.42) HTR2AHTR2CSLC6A4
SCHEMBL4882966 0.80 P2RY14 (0.42) HTR2AHTR2CSLC6A4
SCHEMBL4882961 0.80 P2RY14 (0.42) HTR2AHTR2CSLC6A4
SCHEMBL16878949 0.80 AR (0.56) HTR2AHTR3AHTR2C
Hydrochloric Acid SCHEMBL16879319 0.79 AR (0.55) HTR2AHTR3AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C HTR2A 20/4885HTR3A 10/4885HTR2C 3/4885

“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.