SCHEMBL4909368

SCHEMBL4909368

CCCCN(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
CTSK P43235 2/20 0.35
GHSR Q92847 3/20 0.35
ACHE P22303 1/20 0.35
HTR4 Q13639 1/20 0.35
OXTR P30559 1/20 0.34
ROCK2 O75116 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
MAPK14 Q16539 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KDR P35968 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL4909957 0.97 HRH3 (0.36) HRH3CTSKGHSRACHEHTR4
SCHEMBL4912125 0.97 HRH3 (0.39) HRH3CTSKGHSRACHEHTR4
SCHEMBL4905990 0.94 GHSR (0.36) HRH3CTSKGHSRACHEHTR4
SCHEMBL4907134 0.94 OXTR (0.36) CTSKGHSRACHEHTR4OXTR
SCHEMBL4910643 0.92 OXTR (0.36) GHSRACHEHTR4OXTRROCK2
SCHEMBL14258728 0.92 GHSR (0.37) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4910806 0.92 AVPR2 (0.36) CTSKGHSRACHEHTR4OXTR
SCHEMBL14258771 0.92 GHSR (0.37) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4901850 0.92 OXTR (0.36) CTSKGHSRACHEHTR4OXTR
SCHEMBL4910984 0.92 PDK1 (0.38) GHSROXTRROCK2GPBAR1MAPK14

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 5 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
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 734/4885CTSK 4669/4885GHSR 405/4885

“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.