SCHEMBL1753374

SCHEMBL1753374

CCOC(=O)N1CCCC(NC(=O)c2cccnc2OC)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 3/20 0.57
CHRM1 P11229 2/20 0.55
NOS2 P35228 1/20 0.53
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
BLM P54132 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CCR8 P51685 1/20 0.51
POLB P06746 1/20 0.51
PABPC1 P11940 1/20 0.51
ALOX15 P16050 1/20 0.51
RECQL P46063 1/20 0.51
EIF4H Q15056 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL1753731 0.83 CHRM1 (0.61) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL10107494 0.76 SLC6A12 (0.66) MEN1KMT2ACNR2CNR1POLB
SCHEMBL1753334 0.76 CNR2 (0.55) ALDH1A1MEN1KMT2AKDM4ECNR2
SCHEMBL10107496 0.75 CNR2 (0.54) ALDH1A1MEN1KMT2AKDM4ECNR2
SCHEMBL10108319 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL15951002 0.73 CHRM4 (0.73) ALDH1A1MEN1KMT2AKDM4ECHRM1
SCHEMBL15940628 0.73 CHRM4 (0.73) ALDH1A1MEN1KMT2AKDM4ECHRM1
SCHEMBL15951001 0.73 CHRM4 (0.73) ALDH1A1MEN1KMT2AKDM4ECHRM1
SCHEMBL1753367 0.73 DRD4 (0.64) CNR2CNR1POLBDRD2
SCHEMBL29280938 0.72 GRIN2B (0.63)

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 ALDH1A1 1724/4885MEN1 2993/4885KMT2A 4440/4885

“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.