SCHEMBL13624239

SCHEMBL13624239

CC[C@H](N)CNc1ccc(N2CCCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.44
PKM P14618 2/20 0.44
PIP4K2A P48426 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
IDO1 P14902 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL7577389 0.82 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2MAPTUSP2
SCHEMBL4377743 0.76 SMN1; SMN2 (0.50) ALDH1A1HPGDSMN1; SMN2MAPTUSP2
SCHEMBL4377745 0.76 SMN1; SMN2 (0.50) ALDH1A1HPGDSMN1; SMN2MAPTUSP2
SCHEMBL12568146 0.75 USP2 (0.57) ALDH1A1HPGDSMN1; SMN2MAPTUSP2
SCHEMBL13002979 0.74 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2MAPTUSP2
SCHEMBL78225 0.73 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTUSP2
SCHEMBL11936018 0.73 USP2 (0.52) ALDH1A1HPGDSMN1; SMN2MAPTUSP2
SCHEMBL19547053 0.73 USP2 (0.52) ALDH1A1SMN1; SMN2MAPTUSP2PKM
SCHEMBL11142367 0.72 ALDH1A1 (0.74) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4368253 0.72 GAA (0.52) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF ALDH1A1 2506/4885HPGD 1352/4885SMN1; SMN2 4525/4885

“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.