SCHEMBL4908666

SCHEMBL4908666

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(C(=O)OCCCCN(C)C)c2)c2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.35
KDR P35968 1/20 0.35
MAPK14 Q16539 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
GHSR Q92847 8/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
AVPR2 P30518 2/20 0.32
AVPR1A P37288 1/20 0.32
AVPR1B P47901 1/20 0.32
FASN P49327 1/20 0.32

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
SCHEMBL14258848 0.98 OXTR (0.36) OXTRKDRMAPK14PDK1PDK2
SCHEMBL14258886 0.95 KDR (0.39) OXTRKDRMAPK14GHSRGPBAR1
SCHEMBL4907891 0.92 OXTR (0.35) OXTRMAPK14GHSRGPBAR1
SCHEMBL4933826 0.92 MAPK14 (0.37) OXTRMAPK14GHSRGPBAR1
SCHEMBL4933816 0.92 MAPK14 (0.37) OXTRMAPK14GHSRGPBAR1
SCHEMBL4909403 0.91 MAPK14 (0.36) OXTRMAPK14GHSRGPBAR1
SCHEMBL4904517 0.90 OXTR (0.37) OXTRMAPK14PDK1PDK2PDK3
SCHEMBL4912744 0.89 MAPK14 (0.38) OXTRMAPK14GHSRGPBAR1
SCHEMBL14432384 0.88 CTSK (0.34) OXTRMAPK14GHSRGPBAR1
SCHEMBL4909920 0.88 ACHE (0.42) OXTRMAPK14

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 908/4885KDR 2171/4885MAPK14 1799/4885

“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.