SCHEMBL3557558

SCHEMBL3557558

OCC(c1ccc(F)nc1)c1ccc(F)nc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
FOLH1 Q04609 1/20 0.36
CYP2A6 P11509 2/20 0.33
CYP2B6 P20813 2/20 0.33
P2RX7 Q99572 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
CYP2E1 P05181 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL115613 0.85 SLC6A4 (0.37) EPHX2FOLH1
SCHEMBL14849770 0.80 FOLH1 (0.34) EPHX2FOLH1CYP2A6CYP2B6P2RX7
SCHEMBL116795 0.80 ABCB11 (0.39) EPHX2FOLH1CYP2A6CYP2B6P2RX7
SCHEMBL19544649 0.76 CYP2A6 (0.36) EPHX2FOLH1CYP2A6CYP2B6P2RX7
SCHEMBL3554668 0.73 EPHX2 (0.41) EPHX2FOLH1CYP2A6CYP2B6P2RX7
SCHEMBL10387520 0.73 CYP2A6 (0.36) EPHX2CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL115262 0.72 CYP2A6 (0.38) FOLH1CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL29790356 0.72 CYP2A6 (0.38) FOLH1CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL3513409 0.71 CYP2A6 (0.36) FOLH1CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL2459835 0.71 CYP11B2 (0.37) EPHX2CYP2A6CYP2B6P2RX7CYP3A4

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-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR EPHX2 3373/4885FOLH1 4579/4885CYP2A6 1198/4885

“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.