SCHEMBL6463764

SCHEMBL6463764

O=C(CCC1CCCCC1)NCCC(C(=O)c1nc2ccccc2s1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
MAOB P27338 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.44
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
CCR3 P51677 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL6062034 0.81 MAOB (0.46) CNR1MAOBKMT2AMEN1ITGB3
SCHEMBL6463758 0.79 CNR1 (0.51) CNR1MAOBKMT2AMEN1NPC1
SCHEMBL7045311 0.74 KMT2A (0.42) CNR1KMT2AMEN1RAB9AHPGD
SCHEMBL7047970 0.74 KMT2A (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL6467368 0.74 MAOB (0.49) CNR1MAOBKMT2AMEN1NPC1
SCHEMBL6630003 0.73 MEN1 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7049340 0.73 MEN1 (0.39) KMT2AMEN1RAB9ASMN1; SMN2HPGD
SCHEMBL7045911 0.72 EPHX2 (0.47) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL6225612 0.71 NPC1 (0.76) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7362397 0.68 HPGD (0.51) KMT2AMEN1NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CNR1 3184/4885MAOB 829/4885KMT2A 3705/4885

“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.