SCHEMBL7901663

SCHEMBL7901663

CCCCCCCCCCCCCCCCC(N)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
SPHK1 Q9NYA1 2/20 0.46
CYP2D6 P10635 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
LAP3 P28838 2/20 0.43
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CETP P11597 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43

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
SCHEMBL7174538 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL12971145 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL9207582 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL4950737 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL5504523 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL3356485 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL11897705 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL9211956 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL5508335 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL12971108 1.00 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159861-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS, INC. (US) 2016-06-09 US disclosed
US-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 US disclosed
US-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 US disclosed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
US-20150011466-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS INC (US) 2015-01-08 US disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 US disclosed
US-20130005944-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-01-03 US disclosed
US-20130005944-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-01-03 US disclosed
US-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 US disclosed
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 US disclosed
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 US disclosed
US-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 US disclosed
WO-2010053550-A2 CXCR4 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 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 (8 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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS PTH1R, MC1R, CASR OPRM1 1747/4885SPHK1 2743/4885CYP2D6 4079/4885
US-20150011466-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 OPRM1 233/4885SPHK1 2187/4885CYP2D6 3976/4885
US-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 OPRM1 223/4885SPHK1 2349/4885CYP2D6 4075/4885
US-20130005944-A1 CXCR4 Receptor Compounds CXCL12, CXCR4, CCR5 OPRM1 393/4885SPHK1 461/4885CYP2D6 4390/4885
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 OPRM1 1105/4885SPHK1 680/4885CYP2D6 3842/4885
US-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 OPRM1 124/4885SPHK1 1656/4885CYP2D6 4288/4885
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 OPRM1 31/4885SPHK1 2742/4885CYP2D6 3272/4885
US-20160159861-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 OPRM1 233/4885SPHK1 2187/4885CYP2D6 3976/4885

“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.