SCHEMBL2332969

SCHEMBL2332969

COc1ccccc1C1(CN)CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.53
SLC6A4 P31645 4/20 0.53
SLC6A2 P23975 2/20 0.53
DPP4 P27487 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
HTT P42858 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
HTR2A P28223 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL6184366 0.95 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2DPP4SIGMAR1
Hydrochloric Acid SCHEMBL6185182 0.93 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2DPP4SIGMAR1
SCHEMBL2339483 0.93 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2DPP4SIGMAR1
SCHEMBL34463017 0.93 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2DPP4SIGMAR1
SCHEMBL11310169 0.78 SIGMAR1 (0.44) SLC6A3SLC6A4SLC6A2SIGMAR1HTT
SCHEMBL30040158 0.78 HTT (0.64) SIGMAR1HTTALDH1A1MEN1KMT2A
SCHEMBL9355631 0.77 SIGMAR1 (0.43) SLC6A3SLC6A4SLC6A2SIGMAR1HTT
SCHEMBL14902529 0.76 CYP3A4 (0.48) ALDH1A1
SCHEMBL10612019 0.73 CNR1 (0.43) SLC6A3SLC6A4SLC6A2SIGMAR1HTT
SCHEMBL29965651 0.73 SIGMAR1 (0.72) SIGMAR1HTTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
EP-2358716-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) Schering Corporation (US) 2011-08-24 EP disclosed
WO-2010056631-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) SCHERING CORPORATION (US) 2010-05-20 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-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 SLC6A3 3939/4885SLC6A4 3042/4885SLC6A2 3859/4885

“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.