SCHEMBL4909461

SCHEMBL4909461

CCCN(C)CCCOc1cc(C(=O)N2CC[C@@H](C)Nc3ccccc32)ccc1-c1ccc2[nH]ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
ROCK2 O75116 1/20 0.36
GHSR Q92847 4/20 0.35
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
AVPR1B P47901 1/20 0.34
MAP3K11 Q16584 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
MAPK14 Q16539 1/20 0.34
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL4915171 1.00 OXTR (0.36) OXTRDRD2DRD3ROCK2GHSR
SCHEMBL4910146 0.98 AVPR2 (0.36) OXTRDRD2DRD3ROCK2GHSR
SCHEMBL5242934 0.97 AVPR2 (0.36) OXTRDRD2DRD3ROCK2GHSR
SCHEMBL4907134 0.97 OXTR (0.36) OXTRDRD2DRD3ROCK2GHSR
SCHEMBL4901850 0.96 OXTR (0.36) OXTRDRD2DRD3ROCK2GHSR
SCHEMBL4904461 0.96 DRD2 (0.38) OXTRDRD2DRD3ROCK2GHSR
SCHEMBL4910643 0.96 OXTR (0.36) OXTRDRD2DRD3ROCK2GHSR
SCHEMBL4910806 0.95 AVPR2 (0.36) OXTRDRD2DRD3ROCK2GHSR
SCHEMBL14258824 0.95 AVPR2 (0.39) OXTRDRD2DRD3ROCK2GHSR
SCHEMBL4911712 0.95 AVPR2 (0.36) OXTRDRD2DRD3ROCK2GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 OXTR 908/4885DRD2 170/4885DRD3 176/4885

“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.