SCHEMBL4888083

SCHEMBL4888083

C[C@@H]1CNCC[C@@H]1c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.48
HTR2A P28223 4/20 0.48
HTR2B P41595 3/20 0.48
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
P2RY14 Q15391 1/20 0.42
HTR6 P50406 1/20 0.40
PNMT P11086 1/20 0.40
NOTUM Q6P988 1/20 0.39
HTR1A P08908 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL4888067 1.00 HTR2C (0.48) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4888076 1.00 HTR2C (0.48) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4895875 0.87 HTR2C (0.49) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4892761 0.87 SLC6A2 (0.43) HTR2CHTR2ACHRNB2CHRNA4CHRNB4
SCHEMBL4895857 0.87 HTR2C (0.49) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4892758 0.87 SLC6A2 (0.43) HTR2CHTR2ACHRNB2CHRNA4CHRNB4
SCHEMBL4895859 0.87 HTR2C (0.49) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4892769 0.87 SLC6A2 (0.43) HTR2CHTR2ACHRNB2CHRNA4CHRNB4
SCHEMBL4931353 0.86 HTR2C (0.48) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4931358 0.86 HTR2C (0.48) HTR2CHTR2AHTR2BCHRNB2CHRNA4

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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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 (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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 HTR2C 575/4885HTR2A 1682/4885HTR2B 668/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 HTR2C 465/4885HTR2A 1378/4885HTR2B 339/4885

“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.