SCHEMBL4726656

SCHEMBL4726656

COc1cc(C(F)(F)F)ccc1[C@@H]1CCNC[C@@H]1C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.64
HTR2C P28335 6/20 0.45
HTR2B P41595 6/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1E P28566 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
GRM2 Q14416 1/20 0.43
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
P2RY14 Q15391 1/20 0.40

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
SCHEMBL4726674 1.00 HTR2A (0.64) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL4726654 1.00 HTR2A (0.64) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4929122 0.99 HTR2A (0.62) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4885787 0.99 HTR2A (0.62) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4929132 0.99 HTR2A (0.62) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL4895875 0.84 HTR2C (0.49) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL4895859 0.84 HTR2C (0.49) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL4895857 0.84 HTR2C (0.49) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL4929791 0.83 CCNT1 (0.44) HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL4929787 0.83 CCNT1 (0.44) HTR2AHTR2CSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 HTR2A 1682/4885HTR2C 575/4885HTR2B 668/4885

“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.