SCHEMBL13724938

SCHEMBL13724938

CON(C)C(=O)[C@H](c1ccccc1)N1CCC[C@H](C)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 4/20 0.50
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL13724991 1.00 ALDH1A1 (0.50) ALDH1A1TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL13724849 0.88 ALDH1A1 (0.53) ALDH1A1TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL13724846 0.88 ALDH1A1 (0.53) ALDH1A1TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL13725881 0.83 ALDH1A1 (0.56) ALDH1A1TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL13725309 0.83 ALDH1A1 (0.56) ALDH1A1TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL13724976 0.82 LMNA (0.62) ALDH1A1TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL13724541 0.82 LMNA (0.62) ALDH1A1TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL13724557 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL13724564 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL4093105 0.80 SLC6A9 (0.42) ALDH1A1LMNAMEN1KMT2AKDM4E

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 4375/4885CYP2D6 87/4885

“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.