SCHEMBL10107126

SCHEMBL10107126

CCCOc1cc(C(F)(F)F)ccc1O[C@@H]1[C@@H]2CC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.51
HCRTR2 O43614 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ABL1 P00519 1/20 0.40
ACACB O00763 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HSD11B1 P28845 1/20 0.38
CXCR3 P49682 1/20 0.38
L3MBTL1 Q9Y468 2/20 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
SCHEMBL385013 1.00 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL1066934 0.96 HCRTR1 (0.49) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL16433613 0.93 HCRTR1 (0.49) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL16433636 0.90 HCRTR1 (0.47) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL12932352 0.88 HCRTR1 (0.55) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL10107157 0.84 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL382980 0.84 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL12371239 0.84 KDM4E (0.49) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL10107166 0.84 HCRTR1 (0.53) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL12386009 0.83 CYP3A4 (0.39) HCRTR1HCRTR2KDM4EACACBGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101768-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2012-01-24 US disclosed
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 860/4885SMN1; SMN2 2257/4885

“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.