SCHEMBL13724849

SCHEMBL13724849

C[C@H]1CCCN([C@H](C(=O)N(C)C)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL13724846 1.00 ALDH1A1 (0.53) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13725881 0.88 ALDH1A1 (0.56) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13725309 0.88 ALDH1A1 (0.56) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13724938 0.88 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13724991 0.88 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13724541 0.86 LMNA (0.62) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13724976 0.86 LMNA (0.62) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13724557 0.85 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13724564 0.85 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13724839 0.80 ALDH1A1 (0.54) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6

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 ALDH1A1 116/4885TSHR 4375/4885CYP1A2 32/4885

“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.