SCHEMBL4901147

SCHEMBL4901147

CCN1CCC(OC(=O)c2cc(C(=O)N3CC[C@H](C)Nc4ccccc43)ccc2-c2ccc3[nH]ccc3c2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
MAPK14 Q16539 2/20 0.36
ACHE P22303 2/20 0.35
HTR4 Q13639 2/20 0.35
OXTR P30559 1/20 0.34
CTSK P43235 1/20 0.34
GHSR Q92847 6/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 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
SCHEMBL14258875 0.92 ACHE (0.38) MAPK14ACHEHTR4OXTRGHSR
SCHEMBL4909135 0.85 ACHE (0.36) MAPK14ACHEHTR4OXTRGHSR
SCHEMBL5242825 0.84 OXTR (0.40) MAPK14OXTRGHSRGPBAR1ACACB
SCHEMBL4912744 0.84 MAPK14 (0.38) MAPK14OXTRGHSRGPBAR1
SCHEMBL4912289 0.84 AR (0.41) MAPK14OXTRGHSRGPBAR1ACACB
SCHEMBL4909920 0.84 ACHE (0.42) MAPK14ACHEHTR4OXTRCTSK
SCHEMBL4910784 0.83 HRH3 (0.39) MAPK14ACHEHTR4OXTRGHSR
SCHEMBL14432255 0.83 MAPK14 (0.36) MAPK14OXTRGHSRGPBAR1
SCHEMBL4909403 0.83 MAPK14 (0.36) MAPK14OXTRGHSRGPBAR1
SCHEMBL14258886 0.83 KDR (0.39) MAPK14OXTRGHSRGPBAR1ACACB

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 KDM4E 2138/4885ALDH1A1 492/4885MAPK1 1327/4885

“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.