SCHEMBL4909273

SCHEMBL4909273

COc1cc(C(=O)N2CC[C@H](C)Nc3ccccc32)ccc1-c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.49
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDCD1 Q15116 7/20 0.43
CD274 Q9NZQ7 7/20 0.43
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4907017 0.88 ROCK2 (0.38) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4910570 0.87 ROCK2 (0.47) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4915030 0.85 PDE4A (0.47) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4904274 0.85 PDE4A (0.47) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4910278 0.84 ROCK2 (0.47) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4910107 0.84 ROCK2 (0.47) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4909374 0.83 AVPR2 (0.38) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4910197 0.83 KDM4E (0.44) CD274ALDH1A1
SCHEMBL5242475 0.83 AKR1C3 (0.46) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL5242709 0.82 ROCK2 (0.41) ROCK2PDCD1CD274

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 ROCK2 4050/4885PDE4A 2283/4885PDE4B 1460/4885

“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.