SCHEMBL5254997

SCHEMBL5254997

O=COCCCCCC1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 5/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ CPN1 P15169 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ SLC6A1 P30531 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ SLC6A12 P48065 2/20 0.32
▸ SLC6A11 P48066 2/20 0.32

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
SCHEMBL5253421 0.87 KMT2A (0.41) NAAAHRH3KMT2AHRH4CPN1
Hydrochloric Acid SCHEMBL28107034 0.85 KMT2A (0.40) NAAAHRH3KMT2AHRH4CPN1
SCHEMBL11170648 0.81 HRH3 (0.51) NAAAHRH3KMT2AHRH4CPN1
SCHEMBL5547911 0.80 SIGMAR1 (0.48) NAAAEPHX1ASAH1
SCHEMBL5535569 0.80 SIGMAR1 (0.48) NAAAEPHX1ASAH1
SCHEMBL5535372 0.79 EPHX1 (0.41) NAAAEPHX1ASAH1
SCHEMBL2191205 0.79 EPHX1 (0.45) NAAAEPHX1ASAH1
SCHEMBL14403742 0.79 HRH3 (0.42) NAAAHRH3KMT2AHRH4TLR7
SCHEMBL7296915 0.79 NAAA (0.45) NAAAHRH3KMT2AHRH4TLR7
SCHEMBL5253191 0.78 ITGB3 (0.43) HRH3SLC6A4

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 NAAA 1672/4885HRH3 606/4885KMT2A 4490/4885

“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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