SCHEMBL2553232

SCHEMBL2553232

CN1CCC(OC2CCC(Oc3ccc(Br)nc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
GPR119 Q8TDV5 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
HSF1 Q00613 1/20 0.40
ACVR1 Q04771 2/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVRL1 P37023 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TGFBR1 P36897 1/20 0.39
CHRM4 P08173 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL14634175 1.00 CHRNB2 (0.47) CHRNB2CHRNA4HRH3GPR119SMN1; SMN2
SCHEMBL18937319 0.94 HRH3 (0.51) CHRNB2CHRNA4HRH3SMN1; SMN2CCNE1
SCHEMBL29350110 0.94 HRH3 (0.51) CHRNB2CHRNA4HRH3SMN1; SMN2CCNE1
SCHEMBL27002827 0.87 CHRNB2 (0.50) CHRNB2CHRNA4HRH3SMN1; SMN2
SCHEMBL2555295 0.85 HRH3 (0.50) HRH3GPR119
SCHEMBL22663477 0.83 CHRNB2 (0.45) CHRNB2CHRNA4CHRM4ACACB
SCHEMBL30540046 0.83 CHRNB2 (0.45) CHRNB2CHRNA4CHRM4ACACB
SCHEMBL1725131 0.79 CHRNB2 (0.47) CHRNB2CHRNA4ACACB
SCHEMBL25395289 0.79 CHRNB2 (0.45) CHRNB2CHRNA4HRH3CHRM4
SCHEMBL18822846 0.79 HRH3 (0.56) CHRNB2CHRNA4HRH3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556056-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2013-02-13 EP disclosed
US-20130023494-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-01-24 US disclosed
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 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-20130023494-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO GPR119, SLC5A2, SLC5A1 CHRNB2 1610/4885CHRNA4 1146/4885HRH3 2665/4885

“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.