SCHEMBL3757647

SCHEMBL3757647

CCCCCCCCCC(c1ccccc1)N(COC)C[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
KCNH2 Q12809 2/20 0.33
HTR2A P28223 1/20 0.33
CYP19A1 P11511 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CSNK1E P49674 1/20 0.33

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
SCHEMBL3903809 0.81 SIGMAR1 (0.32) CRHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL1773270 0.77 ADRA2A (0.36) HTR2AALDH1A1
SCHEMBL1773267 0.77 ADRA2A (0.36) HTR2AALDH1A1
SCHEMBL27309973 0.77 SIGMAR1 (0.47) OPRM1OPRD1OPRK1OPRL1SIGMAR1
Bromide SCHEMBL28710071 0.75 SIGMAR1 (0.46) OPRM1OPRD1OPRK1OPRL1SIGMAR1
Bromide SCHEMBL28694187 0.75 SIGMAR1 (0.46) OPRM1OPRD1OPRK1OPRL1SIGMAR1
Bromide SCHEMBL28712119 0.75 SIGMAR1 (0.46) OPRM1OPRD1OPRK1OPRL1SIGMAR1
Bromide SCHEMBL28935313 0.75 SIGMAR1 (0.46) OPRM1OPRD1OPRK1OPRL1SIGMAR1
Hydrochloric Acid SCHEMBL3635488 0.75 SIGMAR1 (0.46) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL2530767 0.75 SIGMAR1 (0.50) OPRM1OPRD1OPRK1OPRL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847117-B2 Process for preparing alkyl(methoxymethyl)trimethylsilanylmethylamines WACKER CHEMIE AG (DE) 2010-12-07 US disclosed
US-20090036700-A1 Process For Preparing Alkyl(Methoxymethyl)Trimethylsilanylmethylamines WACKER CHEMIE AG (DE) 2009-02-05 US disclosed
US-7479504-B2 Edg receptor agonists MERCK & CO., INC. (US) 2009-01-20 US disclosed
EP-1470137-A4 EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-06-15 EP disclosed
US-20050070506-A1 Selective s1p1/edg1 receptor agonists DOHERTY GEORGE A (US) 2005-03-31 US disclosed
US-20050033055-A1 Edg receptor agonists MERCK SHARP & DOHME CORP. 2005-02-10 US disclosed
EP-1469863-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
EP-1470137-A1 EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 US disclosed
WO-2003062252-A1 EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
WO-2003061567-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 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 (4 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-20050070506-A1 Selective s1p1/edg1 receptor agonists S1PR1, S1PR3, S1PR5 CRHR1 204/4885OPRM1 3242/4885OPRD1 1927/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 CRHR1 279/4885OPRM1 2724/4885OPRD1 1729/4885
US-20090036700-A1 Process For Preparing Alkyl(Methoxymethyl)Trimethylsilanylmethylamines PNMT, TET2, HNMT CRHR1 4376/4885OPRM1 180/4885OPRD1 1822/4885
US-20050033055-A1 Edg receptor agonists EDNRA, EDNRB, GPR65 CRHR1 169/4885OPRM1 305/4885OPRD1 318/4885

“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.