SCHEMBL424571

SCHEMBL424571

CN(C(=O)n1cnc(-c2ccc(OCCN3CCOCC3)cc2)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
LTA4H P09960 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ABL1 P00519 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
LYN P07948 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47

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
SCHEMBL424569 0.91 LTA4H (0.51) KDM4ELTA4HHRH3PSMB1PSMB5
SCHEMBL427759 0.90 LTA4H (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL424550 0.81 KDM4E (0.50) ALDH1A1KDM4EGAALTA4HHRH3
SCHEMBL427723 0.81 FAAH (0.52) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL426694 0.79 ACHE (0.49) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL427476 0.77 FAAH (0.57) RAB9AKDM4ESMN1; SMN2GAAACHE
SCHEMBL425371 0.77 FAAH (0.60) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL25081124 0.77 MAPK1 (0.61) NPC1RAB9AALDH1A1LTA4HABL1
SCHEMBL426017 0.76 GAA (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL426698 0.75 FAAH (0.52) NPC1RAB9AKDM4ESMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 NPC1 446/4885RAB9A 2266/4885ALDH1A1 294/4885

“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.