SCHEMBL13873294

SCHEMBL13873294

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.77
POLB P06746 2/20 0.75
MAPT P10636 1/20 0.75
HTR2B P41595 4/20 0.70
HSD17B10 Q99714 1/20 0.58
EPHX2 P34913 4/20 0.58
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CCR2 P41597 2/20 0.53
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL14413286 0.89 SMN1; SMN2 (0.81) SMN1; SMN2POLBMAPTHTR2BHSD17B10
SCHEMBL1299510 0.83 HTR2B (1.00) SMN1; SMN2HTR2B
SCHEMBL20456432 0.77 KMT2A (0.74) SMN1; SMN2MAPTHTR2B
SCHEMBL20463352 0.77 HTR2B (0.62) SMN1; SMN2POLBMAPTHTR2BTRPV1
SCHEMBL14413511 0.77 SMN1; SMN2 (0.68) SMN1; SMN2POLBMAPTHTR2BHSD17B10
SCHEMBL13873072 0.76 SMN1; SMN2 (0.64) SMN1; SMN2POLBMAPTHTR2BHSD17B10
SCHEMBL13873292 0.76 EPHX2 (0.69) POLBEPHX2CYP2C9CYP2C19CCR2
SCHEMBL20463333 0.75 HTR2B (0.60) SMN1; SMN2POLBMAPTHTR2BTRPV1
SCHEMBL2069264 0.75 EPHX2 (0.52) HTR2BEPHX2
Hydrochloric Acid SCHEMBL2067257 0.75 EPHX2 (0.52) HTR2BEPHX2

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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 SMN1; SMN2 4277/4885POLB 1775/4885MAPT 4778/4885

“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.