SCHEMBL4094701

SCHEMBL4094701

C[C@@H]1CN([C@@H](CO)c2ccccc2)CCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.50
OPRL1 P41146 1/20 0.44
CACNA1A O00555 2/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNB1 Q02641 2/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL4103924 0.88 SLC6A9 (0.49) SLC6A9CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4106918 0.87 TP53 (0.44) SLC6A9
SCHEMBL4097078 0.87 TP53 (0.44) SLC6A9
SCHEMBL18263843 0.83 SLC6A9 (0.66) SLC6A9OPRL1CACNA1ACACNA2D1CACNB1
SCHEMBL18263722 0.83 SLC6A9 (0.66) SLC6A9OPRL1CACNA1ACACNA2D1CACNB1
SCHEMBL18263721 0.83 SLC6A9 (0.66) SLC6A9OPRL1CACNA1ACACNA2D1CACNB1
SCHEMBL4102727 0.81 SLC6A9 (0.36) SLC6A9
SCHEMBL4088265 0.81 SLC6A9 (0.36) SLC6A9
SCHEMBL4093117 0.80 SLC6A9 (0.48) SLC6A9CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4092989 0.80 SLC6A9 (0.48) SLC6A9CACNA1ACACNA2D1CACNB1CACNA1C

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 SLC6A9 4784/4885OPRL1 3352/4885CACNA1A 1982/4885

“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.