SCHEMBL4925657

SCHEMBL4925657

C[C@H]1CNCC[C@H]1c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
FPR1 P21462 2/20 0.41
FPR2 P25090 1/20 0.41
SSTR1 P30872 4/20 0.41
SSTR4 P31391 4/20 0.41
HTR2C P28335 1/20 0.40
TACR1 P25103 1/20 0.39
PDE2A O00408 1/20 0.37
EPHX1 P07099 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL4925672 1.00 GRM2 (0.43) GRM2FPR1FPR2SSTR1SSTR4
SCHEMBL4925663 1.00 GRM2 (0.43) GRM2FPR1FPR2SSTR1SSTR4
SCHEMBL4886544 0.87 SSTR1 (0.43) SSTR1SSTR4HTR2CTACR1EPHX1
SCHEMBL4886553 0.87 SSTR1 (0.43) SSTR1SSTR4HTR2CTACR1EPHX1
SCHEMBL4886548 0.87 SSTR1 (0.43) SSTR1SSTR4HTR2CTACR1EPHX1
SCHEMBL4886233 0.86 SSTR1 (0.42) FPR1FPR2SSTR1SSTR4HTR2C
SCHEMBL4886234 0.86 SSTR1 (0.42) FPR1FPR2SSTR1SSTR4HTR2C
SCHEMBL4886238 0.86 SSTR1 (0.42) FPR1FPR2SSTR1SSTR4HTR2C
SCHEMBL4893559 0.85 TACR1 (0.47) SSTR1SSTR4HTR2CTACR1
SCHEMBL4893547 0.85 TACR1 (0.47) SSTR1SSTR4HTR2CTACR1

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 GRM2 4477/4885FPR1 4687/4885FPR2 4619/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 GRM2 4077/4885FPR1 4794/4885FPR2 4698/4885

“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.