SCHEMBL7017782

SCHEMBL7017782

CCCN(CC)N(C)C(=O)c1cccc(CCCC[O])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SPHK2 Q9NRA0 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 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
SCHEMBL5254287 0.74 HPGD (0.57) HPGDALDH1A1CYP4F2CYP4A11PPARG
SCHEMBL7017778 0.74 SMN1; SMN2 (0.43) CYP4F2CYP4A11NPC1RAB9ASMN1; SMN2
SCHEMBL9387193 0.73 CYP4F2 (0.49) HPGDALDH1A1CYP4F2CYP4A11PPARG
SCHEMBL1696543 0.73 KMT2A (0.47) HPGDALDH1A1CYP4F2CYP4A11PPARG
SCHEMBL9507514 0.72 PPARG (0.50) CYP4F2CYP4A11PPARGSPHK2SPHK1
SCHEMBL9508836 0.72 PPARG (0.50) CYP4F2CYP4A11PPARGSPHK2SPHK1
SCHEMBL9016911 0.72 ALDH1A1 (0.55) HPGDALDH1A1CYP4F2CYP4A11PPARG
SCHEMBL9507490 0.72 PPARG (0.50) CYP4F2CYP4A11PPARGSPHK2SPHK1
SCHEMBL9504753 0.72 PPARG (0.50) CYP4F2CYP4A11PPARGSPHK2SPHK1
SCHEMBL9508797 0.72 PPARG (0.50) CYP4F2CYP4A11PPARGSPHK2SPHK1

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 HPGD 228/4885ALDH1A1 3145/4885CYP4F2 1670/4885

“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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