SCHEMBL5256929

SCHEMBL5256929

NCCCCCNC(=O)c1cccc(CCCCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.54
▸ CYP4A11 Q02928 1/20 0.54
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ F10 P00742 1/20 0.50
▸ HDAC3 O15379 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL8811058 0.99 CYP4F2 (0.56) CYP4F2CYP4A11NPC1RAB9AF10
SCHEMBL5256925 0.90 NPC1 (0.50) NPC1RAB9AF10HDAC3ALDH1A1
SCHEMBL5256832 0.84 SMN1; SMN2 (0.68) CYP4F2CYP4A11NPC1RAB9AF10
SCHEMBL5251223 0.84 POLB (0.55) CYP4F2CYP4A11NPC1RAB9AHDAC3
SCHEMBL14459994 0.84 CFD (0.55) NPC1RAB9AF10HDAC3ALDH1A1
SCHEMBL9322112 0.83 SMN1; SMN2 (0.65) HDAC3SMN1; SMN2LMNAHDAC4HDAC1
SCHEMBL284798 0.83 SMN1; SMN2 (0.65) HDAC3SMN1; SMN2LMNAHDAC4HDAC1
SCHEMBL20999952 0.83 SMN1; SMN2 (0.65) HDAC3SMN1; SMN2LMNAHDAC4HDAC1
SCHEMBL9321159 0.83 SMN1; SMN2 (0.65) HDAC3SMN1; SMN2LMNAHDAC4HDAC1
SCHEMBL9321269 0.82 SMN1; SMN2 (0.67) HDAC3SMN1; SMN2LMNAHDAC4HDAC1

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 9 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
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 558/4885NPC1 2978/4885

“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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