SCHEMBL5253184

SCHEMBL5253184

[O]CCCCCCC1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.44
▸ GABRA5 P31644 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ SLC6A12 P48065 2/20 0.44
▸ SLC6A11 P48066 2/20 0.44
▸ SLC6A13 Q9NSD5 2/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRR1 P24046 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ NAAA Q02083 1/20 0.38
▸ HRH3 Q9Y5N1 6/20 0.34
▸ HRH4 Q9H3N8 3/20 0.33
▸ ITGB3 P05106 3/20 0.32
▸ ITGA2B P08514 3/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GNAO1 P09471 2/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ GNAI3 P08754 1/20 0.30
▸ GNAI1 P63096 1/20 0.30

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
SCHEMBL5254311 0.98 SLC6A1 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL4008766 0.91 — —
SCHEMBL20854154 0.89 SLC6A1 (0.46) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5663061 0.86 HRH3 (0.46) SLC6A1SLC6A11SLC6A13NAAAHRH3
SCHEMBL5662279 0.85 ITGB3 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL197439 0.82 — —
SCHEMBL11799788 0.82 SLC6A1 (0.48) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL23717791 0.79 GNAO1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11161610 0.79 GNAO1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20858731 0.79 GNAO1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384825-C Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2008-04-30 — — CN disclosed
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
CN-1104418-C Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2003-04-02 — — CN 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
CN-1313280-A Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2001-09-19 — — CN disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 — — US disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 — — CN 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 SLC6A1 431/4885GABRA5 175/4885GABRB2 169/4885

“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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