SCHEMBL4909957

SCHEMBL4909957

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
GHSR Q92847 3/20 0.35
OXTR P30559 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ROCK2 O75116 1/20 0.34
CTSK P43235 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
MAPK14 Q16539 1/20 0.33
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4909368 0.97 HRH3 (0.36) HRH3GHSROXTRDRD2DRD3
SCHEMBL4905990 0.97 GHSR (0.36) HRH3GHSROXTRDRD2DRD3
SCHEMBL4912125 0.97 HRH3 (0.39) HRH3GHSROXTRROCK2CTSK
SCHEMBL4915171 0.92 OXTR (0.36) GHSROXTRDRD2DRD3ROCK2
SCHEMBL14258728 0.92 GHSR (0.37) GHSROXTRDRD2DRD3ROCK2
SCHEMBL4910643 0.92 OXTR (0.36) GHSROXTRDRD2DRD3ROCK2
SCHEMBL4909461 0.92 OXTR (0.36) GHSROXTRDRD2DRD3ROCK2
SCHEMBL14258771 0.92 GHSR (0.37) GHSROXTRDRD2DRD3ROCK2
SCHEMBL4902070 0.92 PDK1 (0.38) GHSROXTRDRD2DRD3ROCK2
SCHEMBL4910984 0.92 PDK1 (0.38) GHSROXTRDRD2DRD3ROCK2

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 HRH3 734/4885GHSR 405/4885OXTR 908/4885

“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.