SCHEMBL4093737

SCHEMBL4093737

C[C@@H]1CN([C@@H](CNC(=O)O)c2ccccc2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.45
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
SLC1A2 P43004 1/20 0.41
OPRD1 P41143 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL4093734 1.00 CCR3 (0.45) CCR3ROCK2ROCK1SLC1A2OPRD1
SCHEMBL13725003 0.83 FAAH (0.43) ROCK2ROCK1SLC1A2OPRD1
SCHEMBL13724803 0.83 FAAH (0.43) ROCK2ROCK1SLC1A2OPRD1
SCHEMBL4099505 0.81 OPRL1 (0.47) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL4099664 0.81 OPRL1 (0.47) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL13749435 0.79 HRH3 (0.47) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL13750181 0.79 HRH3 (0.47) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL4106900 0.76 OPRM1 (0.50) OPRD1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL4099473 0.76 SLC6A4 (0.43) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL4103236 0.76 SLC6A4 (0.43) HRH3SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT CCR3 1211/4885ROCK2 4316/4885ROCK1 3913/4885

“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.