SCHEMBL4099505

SCHEMBL4099505

C[C@@H]1CN([C@@H](CO)c2ccccc2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.47
SLC6A4 P31645 6/20 0.45
SLC6A2 P23975 5/20 0.45
SLC6A3 Q01959 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
KCNH2 Q12809 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
SCHEMBL4099664 1.00 OPRL1 (0.47) OPRL1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL13749435 0.85 HRH3 (0.47) SLC6A4SLC6A2SLC6A3HRH3KCNH2
SCHEMBL13750181 0.85 HRH3 (0.47) SLC6A4SLC6A2SLC6A3HRH3KCNH2
SCHEMBL4104611 0.84 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3HRH3KCNH2
SCHEMBL4977205 0.84 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3HRH3KCNH2
SCHEMBL4105919 0.84 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3HRH3KCNH2
SCHEMBL4099473 0.83 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HRH3KCNH2
SCHEMBL4106900 0.83 OPRM1 (0.50) OPRL1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4103236 0.83 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HRH3KCNH2
SCHEMBL4093737 0.81 CCR3 (0.45) SLC6A4SLC6A2SLC6A3HRH3

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 3 patents. 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
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
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 OPRL1 3352/4885SLC6A4 3834/4885SLC6A2 4212/4885

“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.