SCHEMBL1753596

SCHEMBL1753596

COc1ccccc1C(=O)NC1CCCNCC1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTR4 Q13639 1/20 0.54
ATM Q13315 1/20 0.53
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
NPC1 O15118 2/20 0.52
SGMS2 Q8NHU3 1/20 0.51
MAPK1 P28482 1/20 0.51
OPRK1 P41145 1/20 0.51
HPGD P15428 1/20 0.50
KCNA3 P22001 1/20 0.50

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
SCHEMBL5482447 0.95 RAB9A (0.56) RAB9AL3MBTL1HTR4ATMKMT2A
SCHEMBL593297 0.95 HTR4 (0.58) RAB9AL3MBTL1HTR4ATMKMT2A
Hydrochloric Acid SCHEMBL594135 0.93 HTR4 (0.57) RAB9AL3MBTL1HTR4ATMKMT2A
SCHEMBL1753490 0.87 DRD4 (0.55) RAB9AL3MBTL1HTR4KMT2AMEN1
SCHEMBL11236668 0.86 RAB9A (0.71) RAB9AL3MBTL1ATMKMT2AALDH1A1
SCHEMBL2542357 0.85 TAS1R3 (0.68) RAB9AL3MBTL1ATMKMT2AALDH1A1
SCHEMBL11099692 0.82 ALDH1A1 (0.49) RAB9AHTR4KMT2AALDH1A1MEN1
SCHEMBL1753334 0.81 CNR2 (0.55) RAB9AHTR4KMT2AALDH1A1MEN1
SCHEMBL8219157 0.79 BRPF1 (0.51) RAB9AHTR4KMT2ANPC1MAPK1
SCHEMBL7300279 0.79 MEN1 (0.51) HTR4KMT2AMEN1

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 RAB9A 3005/4885L3MBTL1 3090/4885HTR4 3953/4885

“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.