SCHEMBL4097076

SCHEMBL4097076

O=C(O)N1CCC(Sc2ccc(F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.42
HSD11B1 P28845 3/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1B Q00975 2/20 0.39
NOTUM Q6P988 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL4771588 0.85 KMT2A (0.41) KMT2AGRIN1GRIN2BALDH1A1MGLL
SCHEMBL3125608 0.85 CARM1 (0.49) KMT2ANPC1RAB9AGRIN1GRIN2B
SCHEMBL1866719 0.84 KMT2A (0.41) KMT2ARAB9AALDH1A1L3MBTL1DDB1
SCHEMBL16013886 0.84 KMT2A (0.41) HSD11B1KMT2ANPC1RAB9AMEN1
SCHEMBL5273038 0.84 MAPT (0.45) HSD11B1KMT2ANPC1RAB9AMEN1
SCHEMBL16422920 0.83 GRIN2B (0.45) HSD11B1NPC1RAB9AATMGRIN1
SCHEMBL4107783 0.82 ALDH1A1 (0.42) KMT2ANPC1RAB9AATMGRIN1
SCHEMBL27648678 0.81 KMT2A (0.38) KMT2AKDM4EDDB1CRBN
SCHEMBL10667792 0.81 ALOX15 (0.59) KMT2ANPC1RAB9AMEN1MGLL
SCHEMBL4777118 0.80 GAA (0.49) HSD11B1RAB9AGRIN1GRIN2BALDH1A1

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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
EP-1996545-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME Boehringer Ingelheim International GmbH (DE) 2008-12-03 EP disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO 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 CCR5 3481/4885HSD11B1 309/4885KMT2A 3145/4885

“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.