SCHEMBL3061004

SCHEMBL3061004

[CH2]CCCCc1cccc(C(=O)NCCCCCC)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NAAA Q02083 2/20 0.58
▸ SPHK2 Q9NRA0 1/20 0.53
▸ SPHK1 Q9NYA1 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HDAC3 O15379 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ SMPD1 P17405 1/20 0.46
▸ F10 P00742 1/20 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
SCHEMBL20810289 0.84 SPHK2 (0.59) SMN1; SMN2NAAASPHK2SPHK1SMPD1
SCHEMBL5256832 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NAAASPHK2SPHK1L3MBTL1
SCHEMBL5256827 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NAAASPHK2SPHK1L3MBTL1
SCHEMBL131829 0.82 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1LMNA
SCHEMBL6535127 0.82 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1LMNA
SCHEMBL1854346 0.82 SMN1; SMN2 (0.66) SMN1; SMN2NAAASPHK2SPHK1L3MBTL1
SCHEMBL20646968 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NAAASPHK2SPHK1L3MBTL1
SCHEMBL20810312 0.81 PPARA (0.56) SMN1; SMN2NAAASPHK2SPHK1SMPD1
SCHEMBL15173985 0.80 SPHK2 (0.64) SMN1; SMN2SPHK2SPHK1NPC1RAB9A
SCHEMBL15174533 0.80 SPHK2 (0.64) SMN1; SMN2SPHK2SPHK1NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 — — US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 — — EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 — — US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 — — EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 — — 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 SMN1; SMN2 3814/4885NAAA 3835/4885SPHK2 4448/4885

“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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