SCHEMBL1972352

SCHEMBL1972352

CC1[C@H](C(=O)O)[C@@H](c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.45
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
GRM5 P41594 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRK1 P41145 3/20 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
SCHEMBL1920336 0.86 SLC6A4 (0.42) SLC6A4MAPT
SCHEMBL1970760 0.83 SLC6A4 (0.47) SLC6A4MAPT
SCHEMBL1717026 0.76 MAPT (0.59) S1PR1S1PR5MAPT
SCHEMBL1920169 0.75 MC1R (0.47) SLC6A4SIGMAR1
SCHEMBL734283 0.74 SCD5 (0.41) SLC6A4MAPT
SCHEMBL4162044 0.74 RORC (0.55) SLC6A3S1PR1S1PR5SIGMAR1
SCHEMBL1975861 0.74 RORC (0.55) SLC6A3S1PR1S1PR5SIGMAR1
SCHEMBL2782848 0.74 RORC (0.55) SLC6A3S1PR1S1PR5SIGMAR1
SCHEMBL1713482 0.74 RORC (0.55) SLC6A3S1PR1S1PR5SIGMAR1
SCHEMBL1345133 0.72 RORC (0.53) SLC6A3S1PR1S1PR5SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B SLC6A3 405/4885S1PR1 749/4885S1PR5 903/4885

“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.