SCHEMBL5253186

SCHEMBL5253186

OCCCCCCC1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

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 5/20 0.34
GNAO1 P09471 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
KMT2A Q03164 1/20 0.32
GBA1 P04062 1/20 0.32
CHRNB2 P17787 1/20 0.31

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
SCHEMBL4654559 0.98 SLC6A1 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1431005 0.91
Hydrochloric Acid SCHEMBL31645473 0.89 SLC6A1 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20854154 0.89 SLC6A1 (0.46) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL4303428 0.88 NAAA (0.48) SLC6A1SLC6A11SLC6A13NAAAHRH3
SCHEMBL12557625 0.88 NAAA (0.48) SLC6A1SLC6A11SLC6A13NAAAHRH3
SCHEMBL11261846 0.87 ITGB3 (0.40) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1838111 0.87 ITGB3 (0.40) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL5593326 0.86 NAAA (0.47) SLC6A1SLC6A11SLC6A13NAAAHRH3
SCHEMBL2411749 0.86 HRH3 (0.46) 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 8 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-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 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.