SCHEMBL2646794

SCHEMBL2646794

O=CC(c1ccc(Br)cc1)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 3/20 0.38
CYP1A2 P05177 4/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2D6 P10635 4/20 0.34
CYP2C9 P11712 4/20 0.34
KCNA5 P22460 4/20 0.34
CYP2C19 P33261 4/20 0.34

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
SCHEMBL15286386 0.84 ALDH1A1 (0.41) SLC6A2SLC6A3SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL4073260 0.84 MGLL (0.41) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL8872239 0.81 CYP1A2 (0.55) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL12068491 0.81 CYP1A2 (0.55) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL4068782 0.80 MBTD1 (0.46) SLC6A2SLC6A3ALDH1A1SMN1; SMN2HPGD
SCHEMBL8097811 0.79 CYP1A2 (0.57) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL13293355 0.79 CYP1A2 (0.57) ALDH1A1KDM4EMEN1GAAMAPT
Hydrochloric Acid SCHEMBL7459908 0.76 LMNA (0.49) SLC6A2SLC6A3SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL23535868 0.74 KCNA5 (0.35) SLC6A2SLC6A3SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL3041069 0.71 CYP2D6 (0.52) SLC6A2SLC6A3SLC6A4ALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 SLC6A2 1711/4885SLC6A3 804/4885SLC6A4 1054/4885

“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.