SCHEMBL5256832

SCHEMBL5256832

CCCCNC(=O)c1cccc(CCCCO)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ CYP4F2 P78329 2/20 0.60
▸ CYP4A11 Q02928 2/20 0.60
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ NAAA Q02083 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SPHK2 Q9NRA0 1/20 0.50
▸ SPHK1 Q9NYA1 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ TMEM97 Q5BJF2 2/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ F10 P00742 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KDM1A O60341 1/20 0.48

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
SCHEMBL5256827 0.89 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ANAAAL3MBTL1
SCHEMBL8811058 0.85 CYP4F2 (0.56) SMN1; SMN2CYP4F2CYP4A11NPC1RAB9A
SCHEMBL5256929 0.84 CYP4F2 (0.54) SMN1; SMN2CYP4F2CYP4A11NPC1RAB9A
SCHEMBL3061004 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ANAAAL3MBTL1
SCHEMBL3645530 0.83 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9ANAAAL3MBTL1
SCHEMBL16117373 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NAAAL3MBTL1GAAMAPT
SCHEMBL1696396 0.82 NPC1 (0.70) SMN1; SMN2NPC1RAB9ANAAATMEM97
SCHEMBL20810289 0.82 SPHK2 (0.59) SMN1; SMN2CYP4F2CYP4A11NAAASPHK2
SCHEMBL20646968 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ANAAAL3MBTL1
SCHEMBL18718023 0.81 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ANAAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 — — EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 — — US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 — — EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 — — EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 — — US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 — — US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 — — 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B SMN1; SMN2 3612/4885CYP4F2 1670/4885CYP4A11 558/4885

“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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