SCHEMBL4397750

SCHEMBL4397750

CC(C)COC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(Br)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
MAPT P10636 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
GPR174 Q9BXC1 1/20 0.38
HTT P42858 1/20 0.38
LNPEP Q9UIQ6 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
SCHEMBL7396050 0.83 KMT2A (0.50) GPR119MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4402806 0.82 GPR119 (0.54) GPR119MAPTHRH3ALDH1A1LMNA
SCHEMBL4620879 0.81 GPR119 (0.47) GPR119CHRM2CHRM1HRH3ALDH1A1
SCHEMBL3399260 0.79 GPR119 (0.47) GPR119HRH3SMN1; SMN2LNPEP
SCHEMBL15173617 0.78 ALDH1A1 (0.40) MAPTHRH3ALDH1A1SMN1; SMN2LMNA
SCHEMBL15202721 0.77 GPR119 (0.48) GPR119MAPTHRH3ALDH1A1LMNA
SCHEMBL26131980 0.76 SLC6A2 (0.40) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4662204 0.76 GPR119 (0.47) GPR119CHRM2CHRM1HRH3POLB
SCHEMBL23466891 0.75 PDE4B (0.45) GPR119CHRM2CHRM1MAPTALDH1A1
SCHEMBL3914633 0.75 MLNR (0.49) GPR119MAPTHRH3ALDH1A1SMN1; SMN2

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
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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 (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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 GPR119 3158/4885CHRM2 3998/4885CHRM1 4157/4885

“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.