Sugi Predict

Sugi Predict / Compounds / SCHEMBL4910879

SCHEMBL4910879

SCHEMBL4910879

CC1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(NC(=O)CN3CCN(C)CC3)c2)c2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ WNT3A P56704 6/20 0.36
▸ OXTR P30559 1/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ SGK1 O00141 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ INSR P06213 1/20 0.35

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
SCHEMBL4914233 0.91 OXTR (0.38) MAP3K11OXTRMAPK14
SCHEMBL4910857 0.90 OXTR (0.37) MAP3K11OXTRMAPK14ABL1
SCHEMBL4910848 0.89 OXTR (0.37) MAP3K11OXTRMAPK14
SCHEMBL4908697 0.88 OXTR (0.36) MAP3K11OXTRMAPK14ROCK2DRD2
SCHEMBL4910896 0.88 OXTR (0.38) MAP3K11OXTRMAPK14
SCHEMBL4914441 0.87 OXTR (0.39) MAP3K11OXTRMAPK14
SCHEMBL4914201 0.87 OXTR (0.39) MAP3K11OXTRMAPK14
SCHEMBL4904155 0.87 OXTR (0.39) MAP3K11OXTRMAPK14
SCHEMBL4912268 0.87 OXTR (0.39) MAP3K11OXTRMAPK14
SCHEMBL4907077 0.86 GHSR (0.36) OXTRMAPK14ROCK2DRD2DRD3

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 MAP3K11 2846/4885CYP2C19 523/4885SMN1; SMN2 2287/4885

“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.