SCHEMBL4058385

SCHEMBL4058385

Nc1ccc2c(c1)C[C@@H](Nc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
GRIN2B Q13224 1/20 0.43
GBA1 P04062 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMO Q99835 1/20 0.40
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 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
SCHEMBL2980045 0.81 GRIN2B (0.47) GRIN2BGBA1MAPTALDH1A1LMNA
SCHEMBL7970294 0.77 HDAC8 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7972733 0.76 HDAC8 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14515547 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6559411 0.73 GAA (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7760828 0.73 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4641731 0.72 CA1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16082283 0.71 GBA1 (0.53) GBA1
SCHEMBL4043115 0.69 GRIN2B (0.57) GRIN2BGBA1CA1CA2
SCHEMBL6202048 0.69 CA1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-2010170-A2 USE OF BIARYLCARBOXAMIDES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2009-01-07 EP disclosed
WO-2007120827-A2 USE OF BIARYLCARBOXAMIDES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2007-10-25 WO 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-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, GLI2 PSEN1 1976/4885PSEN2 2025/4885APH1B 1665/4885

“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.