SCHEMBL12371131

SCHEMBL12371131

CCCCn1nc(C(F)(F)F)cc1O[C@H]1[C@@H]2CC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
ACACB O00763 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.35
CXCR3 P49682 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL12371110 1.00 HCRTR1 (0.42) HCRTR1HCRTR2HPGDSMN1; SMN2GPR119
SCHEMBL756547 0.85 HRH3 (0.44) HPGDSMN1; SMN2GPR119HRH3KDM4E
SCHEMBL12371187 0.85 HCRTR1 (0.41) HCRTR1HCRTR2HPGDSMN1; SMN2GPR119
SCHEMBL15745697 0.84 SCD (0.40) HPGDSMN1; SMN2GPR119HRH3KDM4E
SCHEMBL15745701 0.84 SCD (0.40) HPGDSMN1; SMN2GPR119HRH3KDM4E
SCHEMBL15745702 0.84 HCRTR1 (0.39) HCRTR1HCRTR2HPGDSMN1; SMN2GPR119
SCHEMBL15745703 0.79 HRH3 (0.45) HPGDSMN1; SMN2GPR119HRH3KDM4E
SCHEMBL12371112 0.77 LMNA (0.33) LMNA
SCHEMBL760376 0.77 LMNA (0.33) LMNA
SCHEMBL12371149 0.75 KDM4E (0.43) HPGDSMN1; SMN2GPR119HRH3KDM4E

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-7994094-B2 N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO., LTD. (JP) 2011-08-09 US disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 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-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT HRH4, NOX4, PRDX4 HCRTR1 329/4885HCRTR2 860/4885HPGD 2035/4885

“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.