SCHEMBL1313232

SCHEMBL1313232

CN(C(=O)O)C1(O)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 4/20 0.33
OPRL1 P41146 1/20 0.32
DRD2 P14416 1/20 0.31
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL15510989 0.84
SCHEMBL3707049 0.80 KDM4E (0.36) KDM4EKMT2AOPRM1GABRDGABRA1
SCHEMBL28603780 0.74 DRD2 (0.35) KDM4EKMT2AOPRM1DRD2SIGMAR1
SCHEMBL3703098 0.74 OPRM1 (0.34) KDM4EKMT2AOPRM1
SCHEMBL28613772 0.74 KDM4E (0.30) KDM4EKMT2A
SCHEMBL1035108 0.71 FFAR3 (0.30)
SCHEMBL3295203 0.71 FFAR3 (0.30)
SCHEMBL17606254 0.69 KDM4E (0.32) KDM4EKMT2AOPRM1
SCHEMBL1290783 0.69 OPRM1 (0.35) KDM4EKMT2AOPRM1OPRL1GABRD
SCHEMBL3573760 0.68 OPRM1 (0.42) KMT2AOPRM1OPRL1DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 KDM4E 1611/4885KMT2A 2715/4885OPRM1 1725/4885

“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.