SCHEMBL9113454

SCHEMBL9113454

CCCCC(CC)COC(=O)CCSc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(OC[C@H](C)NC(C)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.38
▸ MTNR1B P49286 3/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ LPAR1 Q92633 3/20 0.38
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ LPAR3 Q9UBY5 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ ERAP2 Q6P179 1/20 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
SCHEMBL1390850 0.87 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2LPAR1LPAR3
SCHEMBL1390851 0.87 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2LPAR1LPAR3
SCHEMBL9283596 0.86 MTNR1A (0.38) MTNR1AMTNR1BSENP7NPC1RAB9A
SCHEMBL9283590 0.83 MTNR1A (0.38) MTNR1AMTNR1BSENP7NPC1RAB9A
SCHEMBL7928273 0.83 LTA4H (0.46) MEN1KMT2AERAP2LNPEPMAPK1
SCHEMBL1390739 0.82 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2LPAR1LPAR3
SCHEMBL1390738 0.82 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2LPAR1LPAR3
SCHEMBL9283582 0.81 MTNR1A (0.39) MTNR1AMTNR1BSENP7NPC1RAB9A
SCHEMBL15968955 0.79 ACACB (0.38) ACACB
SCHEMBL1391363 0.78 CYP3A4 (0.44) LPAR1LPAR3MAPK1

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
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 — — EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 — — US disclosed
EP-2649062-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Takeda Pharmaceutical Company Limited (JP) 2013-10-16 — — EP disclosed
WO-2012074126-A9 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-06 — — WO disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 — — US disclosed
WO-2012074126-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 — — WO 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 MTNR1A 2074/4885MTNR1B 1522/4885SENP7 3722/4885

“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.

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