SCHEMBL306912

SCHEMBL306912

CCc1cccc(N2CCN(CCO)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
KCNH2 Q12809 2/20 0.50
OPRM1 P35372 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
DRD3 P35462 2/20 0.48
AGXT P21549 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL5178401 0.82 KCNH2 (0.55) DRD2KCNH2OPRM1SIGMAR1DRD3
SCHEMBL8189615 0.82 AGXT (0.67) DRD2AGXT
SCHEMBL17303912 0.81 PKM (0.59) SIGMAR1
SCHEMBL12879718 0.81 KCNH2 (0.74) DRD2KCNH2
SCHEMBL10261547 0.81 POLB (0.53) DRD2SIGMAR1
SCHEMBL520966 0.80 ADRA2C (0.62) DRD2KCNH2OPRM1DRD3HTR1A
SCHEMBL1598706 0.80 DRD2 (0.74) DRD2KCNH2OPRM1DRD3
SCHEMBL15743241 0.79 KCNH2 (0.76) DRD2KCNH2HTR1A
SCHEMBL19604155 0.79 PRMT6 (0.60) DRD2DRD3AGXT
SCHEMBL166575 0.79 PRMT6 (0.65) AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-21 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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 (9 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 DRD2 1670/4885KCNH2 3000/4885OPRM1 790/4885
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK DRD2 3041/4885KCNH2 3170/4885OPRM1 2211/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 DRD2 2424/4885KCNH2 3511/4885OPRM1 2157/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DRD2 1670/4885KCNH2 3000/4885OPRM1 790/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 DRD2 2424/4885KCNH2 3511/4885OPRM1 2157/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 DRD2 2424/4885KCNH2 3511/4885OPRM1 2157/4885
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DRD2 1670/4885KCNH2 3000/4885OPRM1 790/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 DRD2 2424/4885KCNH2 3511/4885OPRM1 2157/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DRD2 1670/4885KCNH2 3000/4885OPRM1 790/4885

“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.