SCHEMBL1753594

SCHEMBL1753594

COc1ncccc1C(=O)NCC1CNCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.50
GAA P10253 3/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHEK1 O14757 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
ADRA2C P18825 1/20 0.44
NTRK1 P04629 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
IRAK4 Q9NWZ3 3/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL13162864 0.79 CHEK1 (0.56) L3MBTL1CHEK1KMT2AMAPTKDM4E
SCHEMBL30843806 0.79 CHRM1 (0.53) GAAMAPT
SCHEMBL29280924 0.79 CHRM1 (0.53) GAAMAPT
SCHEMBL1502177 0.76 CHEK1 (0.44) GAACHEK1KMT2ANTRK1KDM4E
SCHEMBL1501974 0.76 CHEK1 (0.44) MKNK2GAACHEK1KMT2AKDM4E
SCHEMBL1753373 0.75 DRD4 (0.51) GAATSHRHTTL3MBTL1KMT2A
SCHEMBL1502383 0.74 HPGD (0.53) GAATSHRL3MBTL1CHEK1KMT2A
SCHEMBL31188587 0.73 HPGD (0.64) GAACHEK1KMT2AKDM4EALDH1A1
SCHEMBL2439612 0.73 HPGD (0.64) GAACHEK1KMT2AKDM4EALDH1A1
SCHEMBL1753370 0.73 CNR2 (0.49) KMT2A

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-8158783-B2 MTP inhibiting tetrahydro-naphthalene-1-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-8158783-B2 MTP inhibiting tetrahydro-naphthalene-1-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-21 US disclosed
US-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-21 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-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES PNLIP, APOB, MTPN MKNK2 2843/4885GAA 398/4885TSHR 2141/4885

“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.