SCHEMBL20279348

SCHEMBL20279348

CC[C@H](OC)[C@@H](N)Cc1ncccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
HPGD P15428 7/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
DRD2 P14416 3/20 0.33
FEN1 P39748 2/20 0.33
HTR2A P28223 2/20 0.33
ALOX5AP P20292 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL20279341 1.00 ALDH1A1 (0.38) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20278987 0.81 ADORA2A (0.33) ALDH1A1L3MBTL1FEN1ALOX5APADORA2A
SCHEMBL2019587 0.79 HPGD (0.39) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20279339 0.74 NLRP3 (0.30)
SCHEMBL20279336 0.74 NLRP3 (0.30)
SCHEMBL20278811 0.74 NLRP3 (0.30)
SCHEMBL20278790 0.72 GRIN2D (0.49) L3MBTL1KDM4EPOLB
SCHEMBL20278786 0.72 ALDH1A1 (0.36) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20278946 0.72 GRIN2D (0.49) L3MBTL1KDM4EPOLB
SCHEMBL3791629 0.71 HPGD (0.51) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 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-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TRPM8, HCN3, HCN4 ALDH1A1 1871/4885HPGD 3742/4885NPC1 1339/4885

“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.