SCHEMBL1855065

SCHEMBL1855065

N#Cc1cc2c(cc1C#N)OCCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 3/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
MAOA P21397 2/20 0.36

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
SCHEMBL9235864 0.90 NPC1 (0.44) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL31633231 0.84 MAPT (0.45) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL12628719 0.77 HTT (0.41) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL12628643 0.76 ACACB (0.33) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL26110985 0.76 TRPV4 (0.45) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL28798289 0.76 MAPKAPK2 (0.49) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL3521436 0.76 KMT2A (0.39) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL16252949 0.71 MAPT (0.39) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL16199533 0.71 MAPT (0.47) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL16199563 0.69 ALDH1A1 (0.50) NPC1RAB9AKMT2AKDM4ESMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST F2R, F2RL1, F2RL3 NPC1 2149/4885RAB9A 2135/4885KMT2A 3661/4885

“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.