SCHEMBL6909501

SCHEMBL6909501

CCCCCCCCCCCCOCCC(C)N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.56
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.45
USP2 O75604 1/20 0.42
SPHK1 Q9NYA1 2/20 0.42
CES2 O00748 1/20 0.41
DNM1 Q05193 1/20 0.41
PLA2G2C Q5R387 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL16299179 1.00 OPRM1 (0.56) OPRM1HTTMEN1THRBKMT2A
SCHEMBL3263690 0.98 OPRM1 (0.58) OPRM1HTTMEN1THRBKMT2A
SCHEMBL10687484 0.91 OPRM1 (0.54) OPRM1HTTMEN1THRBKMT2A
Isopropylamine SCHEMBL9717358 0.86 HTT (0.56) OPRM1HTTMEN1THRBKMT2A
SCHEMBL10607175 0.84 HTT (0.57) OPRM1HTTMEN1THRBKMT2A
SCHEMBL7790055 0.84 HTT (0.50) OPRM1HTTMEN1THRBKMT2A
SCHEMBL10607828 0.84 HTT (0.57) OPRM1HTTMEN1THRBKMT2A
SCHEMBL24470473 0.82 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL10912365 0.82 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL5468946 0.82 HTT (0.52) HTTMEN1THRBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566494-B1 CXCR4 RECEPTOR COMPOUNDS ACER THERAPEUTICS INC (US) 2017-11-29 EP disclosed
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-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
WO-2013106437-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2013-07-18 WO disclosed
US-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 US disclosed
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 US disclosed
US-20110301087-A1 CRF1 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-2011106703-A2 CXCR4 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2011-09-01 WO disclosed
WO-2010053546-A2 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 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 (7 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 1747/4885HTT 1710/4885MEN1 398/4885
US-20150011466-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 OPRM1 233/4885HTT 2585/4885MEN1 4240/4885
US-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 OPRM1 223/4885HTT 2433/4885MEN1 4292/4885
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 OPRM1 1105/4885HTT 1943/4885MEN1 3324/4885
US-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 OPRM1 124/4885HTT 3807/4885MEN1 3835/4885
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 OPRM1 31/4885HTT 804/4885MEN1 4518/4885
US-20160159861-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 OPRM1 233/4885HTT 2585/4885MEN1 4240/4885

“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.