SCHEMBL3678249

SCHEMBL3678249

C[Si](C)(C)C#CCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL29048463 0.78 GRM5 (0.51) GRM5L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL37703522 0.77 GRM5 (0.49) GRM5SIGMAR1
SCHEMBL5966248 0.77 GRM5 (0.50) GRM5SIGMAR1MAOAADRA1ASLC6A3
SCHEMBL3219045 0.75 DHFR (0.40) GRM5SIGMAR1DRD3KCNH2
SCHEMBL19608779 0.75 L3MBTL1 (0.48) L3MBTL1
SCHEMBL5045072 0.74 CALM1 (0.49) L3MBTL1SIGMAR1AOC3
SCHEMBL29019622 0.74 GRM5 (0.47) GRM5SIGMAR1MAOAADRA1ASLC6A3
SCHEMBL6014414 0.74 MAOA (0.50) GRM5SIGMAR1MAOAADRA1ASLC6A3
SCHEMBL2496079 0.74 GRM5 (0.47) GRM5SIGMAR1MAOAADRA1ASLC6A3
SCHEMBL2093416 0.74 GRM5 (0.47) GRM5SIGMAR1MAOAADRA1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013186550-A1 COMPOUND AND METHOD UNIVERSITY OF BRISTOL (GB) 2013-12-19 WO disclosed
US-7781599-B2 economical; nontoxic; high yield; industrial scale; Grignard reaction; iron catalyst (FeCl3) and a diamine (ethylenediamine); cross-coupling of alkyl halide and aromatic organometallic; primary or secondary alkyl substituents; phenylcycloheptane from bromocycloheptane and phenyl magnesium bromide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-08-24 US disclosed
US-20070123734-A1 Process for production of aromatic compounds JAPAN SCIENCE AND TECHNOLOGY AGENCY 2007-05-31 US disclosed
EP-1724248-A1 PROCESS FOR PRODUCTION OF AROMATIC COMPOUNDS Japan Science and Technology Agency (JP) 2006-11-22 EP 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 (1 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-20070123734-A1 Process for production of aromatic compounds C9, C5, C1S GRM5 2260/4885L3MBTL1 1734/4885MEN1 143/4885

“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.