SCHEMBL3567393

SCHEMBL3567393

O=C(Nc1cc([C]2CCC2)[nH]n1)[C@H]1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 5/20 0.49
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
USP30 Q70CQ3 1/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3559850 0.82 NPY5R (0.46) USP30
SCHEMBL3567422 0.80 HPGD (0.49) NPC1SMN1; SMN2HPGDADORA3ADORA2A
SCHEMBL3567395 0.79 CDK2 (0.53) NPC1SMN1; SMN2HPGDADORA3ADORA2A
SCHEMBL3560570 0.71 CDK2 (0.45) NPC1SMN1; SMN2HPGDADORA3ADORA2A
SCHEMBL3567427 0.68 ALDH1A1 (0.49) NPC1SMN1; SMN2HPGDADORA3ADORA2A
SCHEMBL30642212 0.66 JAK2 (0.64) NPC1SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL16503904 0.64 HPGD (0.67) NPC1HPGDALDH1A1KDM4EPOLB
SCHEMBL5105437 0.64 MAPK1 (0.53) NPC1SMN1; SMN2HPGDADORA3ADORA2A
SCHEMBL8272416 0.64 MAPK1 (0.53) NPC1SMN1; SMN2HPGDADORA3ADORA2A
SCHEMBL21348455 0.63 NPC1 (0.56) NPC1SMN1; SMN2HPGDALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP NPC1 2332/4885SMN1; SMN2 3262/4885HPGD 2875/4885

“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.