SCHEMBL13724952

SCHEMBL13724952

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.46
ALDH1A1 P00352 7/20 0.44
ACHE P22303 3/20 0.44
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.41
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL13725245 1.00 OPRL1 (0.46) OPRL1ALDH1A1ACHECYP2C19CYP1A2
SCHEMBL27842835 0.82 OPRL1 (0.46) OPRL1ALDH1A1ACHECYP2C19CYP1A2
SCHEMBL14375279 0.81 OPRL1 (0.54) OPRL1ALDH1A1ACHECYP2C19CYP1A2
SCHEMBL3609859 0.79 ALDH1A1 (0.66) OPRL1ALDH1A1ACHECYP2C19CYP1A2
SCHEMBL14125399 0.79 KDM4E (0.44) ALDH1A1KDM4EMEN1MAPTTHRB
SCHEMBL25740922 0.78 CYP2D6 (0.56) OPRL1ALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL14280023 0.78 CYP2D6 (0.56) OPRL1ALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL25740923 0.78 CYP2D6 (0.56) OPRL1ALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL12518845 0.78 CYP2D6 (0.56) OPRL1ALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL18022515 0.78 CYP2D6 (0.56) OPRL1ALDH1A1CYP2C19CYP1A2CYP2D6

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 OPRL1 3352/4885ALDH1A1 116/4885ACHE 4162/4885

“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.