SCHEMBL4037688

SCHEMBL4037688

NC(=O)Oc1ccc(CCNC[C@H](O)[CH]Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
ADRB3 P13945 11/20 0.45
ADRB1 P08588 3/20 0.45
ADRB2 P07550 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.43
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42

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
SCHEMBL4041765 0.89 ADRB3 (0.46) KDM4ETDP1ADRB3ADRB1ADRB2
SCHEMBL4044458 0.83 ADRB2 (0.39) KDM4ESMN1; SMN2TDP1ADRB3ADRB1
SCHEMBL4042381 0.82 ADRB2 (0.59) OPRM1ADRB3ADRB1ADRB2MEN1
SCHEMBL4048154 0.79 BCHE (0.43) MEN1KMT2A
SCHEMBL4044662 0.76 ABCB1 (0.39) KDM4EGAASMN1; SMN2OPRM1ADRB3
SCHEMBL4071551 0.75 PPARG (0.39)
SCHEMBL4045258 0.74 NR3C2 (0.41) KDM4EOPRM1OPRD1OPRK1ADRB3
SCHEMBL4049170 0.72 MPO (0.39) KDM4EGAASMN1; SMN2OPRM1ADRB3
SCHEMBL4036513 0.72 RPS6KB1 (0.40) KDM4ESMN1; SMN2TDP1ADRB3ADRB1
SCHEMBL4045617 0.72 ADRB1 (0.36) KDM4ESMN1; SMN2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 US disclosed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 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 (2 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-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 KDM4E 2034/4885GAA 4861/4885SMN1; SMN2 3463/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 KDM4E 2439/4885GAA 4536/4885SMN1; SMN2 4549/4885

“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.