SCHEMBL7017784

SCHEMBL7017784

CCCN(CC)CNC(=O)c1cccc(CCCCO)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.53
▸ CYP4A11 Q02928 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BCHE P06276 4/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.43
▸ TMEM97 Q5BJF2 4/20 0.42
▸ SIGMAR1 Q99720 4/20 0.42
▸ APP P05067 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ KAT6A Q92794 1/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.39
▸ MAP1LC3A Q9H492 1/20 0.39

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
SCHEMBL7017778 0.91 SMN1; SMN2 (0.43) CYP4F2CYP4A11SMN1; SMN2BCHESPHK2
SCHEMBL5256832 0.80 SMN1; SMN2 (0.68) CYP4F2CYP4A11SMN1; SMN2SPHK2SPHK1
SCHEMBL20646968 0.73 SMN1; SMN2 (0.57) SMN1; SMN2SPHK2SPHK1TMEM97SIGMAR1
SCHEMBL20810289 0.73 SPHK2 (0.59) CYP4F2CYP4A11SMN1; SMN2SPHK2SPHK1
SCHEMBL8811058 0.72 CYP4F2 (0.56) CYP4F2CYP4A11SMN1; SMN2TMEM97SIGMAR1
SCHEMBL5256929 0.71 CYP4F2 (0.54) CYP4F2CYP4A11SMN1; SMN2TMEM97SIGMAR1
SCHEMBL6131534 0.71 DRD2 (0.57) SMN1; SMN2GAADRD2DRD4DRD3
SCHEMBL14233914 0.71 KAT6A (0.58) CYP4F2CYP4A11SMN1; SMN2GAAKAT6A
SCHEMBL20810312 0.70 PPARA (0.56) CYP4F2CYP4A11SMN1; SMN2SPHK2SPHK1
SCHEMBL5256827 0.70 SMN1; SMN2 (0.68) SMN1; SMN2SPHK2SPHK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 — — EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 — — 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B CYP4F2 1670/4885CYP4A11 558/4885SMN1; SMN2 3612/4885

“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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