SCHEMBL1753334

SCHEMBL1753334

COc1ncccc1C(=O)NC1CCCNCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.55
CNR1 P21554 5/20 0.55
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD11B1 P28845 1/20 0.47
ACKR3 P25106 1/20 0.47
HTR4 Q13639 2/20 0.46

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
SCHEMBL10107496 0.95 CNR2 (0.54) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL1753370 0.88 CNR2 (0.49) CNR2CNR1RAB9AMEN1KMT2A
SCHEMBL10107630 0.82 CNR2 (0.51) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL1753596 0.81 RAB9A (0.55) RAB9AALDH1A1MEN1KMT2AHTR4
SCHEMBL11814700 0.78 CHRM1 (0.53) CNR2CNR1GAAMEN1KMT2A
SCHEMBL30843806 0.78 CHRM1 (0.53) GAAHTR4
SCHEMBL29280924 0.78 CHRM1 (0.53) GAAHTR4
SCHEMBL4292724 0.76 CNR2 (0.49) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL5482447 0.76 RAB9A (0.56) RAB9AALDH1A1GAAMEN1KMT2A
SCHEMBL1753374 0.76 ALDH1A1 (0.67) CNR2CNR1ALDH1A1KDM4EMEN1

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 CNR2 2151/4885CNR1 2051/4885RAB9A 3005/4885

“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.