SCHEMBL15230839

SCHEMBL15230839

CN1CCCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP1 P29466 1/20 0.39
SUV39H2 Q9H5I1 6/20 0.37
HTR3A P46098 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
MAOB P27338 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL16782185 0.96 ALDH1A1 (0.45) NPC1ALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL15230307 0.90 ALDH1A1 (0.42) NPC1ALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL15230776 0.89 NPC1 (0.40) NPC1ALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL16782257 0.87 NPC1 (0.43) NPC1ALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL15231098 0.86 ALDH1A1 (0.42) NPC1ALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL16782193 0.85 ALDH1A1 (0.45) NPC1ALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL16782271 0.85 ALDH1A1 (0.45) NPC1ALDH1A1RAB9AKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL16782262 0.85 ALDH1A1 (0.41) NPC1ALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL15228337 0.85 ALDH1A1 (0.52) NPC1ALDH1A1RAB9AKDM4EL3MBTL1
Hypochlorous Acid SCHEMBL21486119 0.84 ALDH1A1 (0.41) NPC1ALDH1A1RAB9AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2819519-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-10-23 EP claimed
US-9371336-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2016-06-21 US claimed
US-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC. (US) 2015-06-18 US claimed
EP-2819519-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2015-01-07 EP claimed
WO-2013130689-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-09-06 WO claimed
EP-2819519-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-10-23 EP disclosed
EP-2819519-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-10-23 EP disclosed
US-9371336-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-9371336-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC. (US) 2015-06-18 US disclosed
US-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC. (US) 2015-06-18 US disclosed
WO-2013130689-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-09-06 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-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 NPC1 975/4885ALDH1A1 1461/4885RAB9A 1728/4885

“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.