SCHEMBL3506973

SCHEMBL3506973

CC(C)(C)[Si](C)(C)OC1=CCC(OCc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
SIGMAR1 Q99720 2/20 0.36
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
DPP4 P27487 1/20 0.35
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
BRD4 O60885 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL10692174 0.87 OPRM1 (0.41) OPRM1OPRL1SIGMAR1CARM1PRMT6
SCHEMBL15032475 0.87 NAAA (0.39) CARM1PRMT6HRH3
SCHEMBL6968463 0.80 OPRM1 (0.43) OPRM1OPRL1SIGMAR1CARM1PRMT6
SCHEMBL14899262 0.77
SCHEMBL8293595 0.76 MEN1 (0.43) CARM1PRMT6LMNA
SCHEMBL13112943 0.76 OPRM1 (0.48) OPRM1OPRL1SIGMAR1CARM1PRMT6
SCHEMBL29338115 0.74 OPRM1 (0.46) OPRM1OPRL1SIGMAR1CARM1PRMT6
SCHEMBL23203461 0.72 DRD2 (0.35) OPRM1OPRL1SIGMAR1CARM1PRMT6
SCHEMBL23093104 0.72 DRD2 (0.35) OPRM1OPRL1SIGMAR1CARM1PRMT6
SCHEMBL21029509 0.72 CTSL (0.41) OPRM1OPRL1SIGMAR1CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231143-B1 5H-pyrido[4,3-b]indoles as INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8431569-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-30 US disclosed
US-8431569-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-30 US disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-7452893-B2 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists MERCK & CO., INC. (US) 2008-11-18 US disclosed
US-20070037829-A1 e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients MERCK & CO., INC. (US) 2007-02-15 US disclosed
EP-1656379-B1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2007-01-10 EP disclosed
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists THOMPSON WAYNE (US) 2005-03-10 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 (3 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-20100267709-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 OPRM1 4823/4885OPRL1 4639/4885SIGMAR1 4547/4885
US-20070037829-A1 e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients GRIN2B, GRIN3A, GRIN2A OPRM1 62/4885OPRL1 69/4885SIGMAR1 460/4885
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists GRIN2B, GRIN1, GRIN2A OPRM1 173/4885OPRL1 45/4885SIGMAR1 685/4885

“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.