SCHEMBL4368356

SCHEMBL4368356

O=C(O)[C@@H]1C(=O)NC[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.61
SLC6A2 P23975 9/20 0.61
SLC6A4 P31645 3/20 0.61
FPR1 P21462 5/20 0.45
FPR2 P25090 5/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL22831436 1.00 SLC6A3 (0.61) SLC6A3SLC6A2SLC6A4FPR1FPR2
SCHEMBL28464602 1.00 SLC6A3 (0.61) SLC6A3SLC6A2SLC6A4FPR1FPR2
SCHEMBL29434443 0.85 SLC6A3 (0.51) SLC6A3MEN1POLBHTTKMT2A
SCHEMBL14812210 0.85 SLC6A3 (0.51) SLC6A3MEN1POLBHTTKMT2A
SCHEMBL14811014 0.85 SLC6A3 (0.51) SLC6A3MEN1POLBHTTKMT2A
SCHEMBL2791362 0.85 SLC6A3 (0.51) SLC6A3MEN1POLBHTTKMT2A
SCHEMBL16784599 0.85 SLC6A3 (0.51) SLC6A3MEN1POLBHTTKMT2A
SCHEMBL14812149 0.85 SLC6A3 (0.51) SLC6A3MEN1POLBHTTKMT2A
SCHEMBL14810578 0.85 SLC6A3 (0.51) SLC6A3MEN1POLBHTTKMT2A
SCHEMBL20177486 0.84 F2RL1 (0.54) SLC6A3SLC6A2SLC6A4MEN1POLB

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
WO-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed
EP-2298730-B1 METHOD OF PRODUCING PURIFIED OPTICALLY ACTIVE 4-AMINO-3-(SUBSTITUTED PHENYL)BUTANOIC ACID COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-07-29 EP disclosed
US-8791295-B2 Method of producing purified optically acitve 4-amino-3-(substituted phenyl)butanoic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-29 US disclosed
US-8293926-B2 Method of producing optically active 4-amino-3-substituted phenylbutanoic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 US 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-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid ALAD, ATP6V1B1, DAO SLC6A3 979/4885SLC6A2 1200/4885SLC6A4 782/4885

“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.