Sugi Predict

Sugi Predict / Compounds / SCHEMBL4911908

SCHEMBL4911908

SCHEMBL4911908

CCCN(C)CCCOc1cc(C(=O)N2CC[C@H](C)Nc3ccccc32)ccc1-c1ccc(N(C)C(C)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 3/20 0.36
▸ AVPR1A P37288 3/20 0.36
▸ AVPR1B P47901 3/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PDCD1 Q15116 8/20 0.35
▸ CD274 Q9NZQ7 8/20 0.35
▸ HTR1D P28221 5/20 0.35
▸ HTR1B P28222 5/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 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
SCHEMBL4909374 0.90 AVPR2 (0.38) AVPR2AVPR1AAVPR1BROCK2PDCD1
SCHEMBL4913200 0.90 ROCK2 (0.40) AVPR2AVPR1AAVPR1BROCK2PDCD1
SCHEMBL4907022 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BROCK2PDCD1
SCHEMBL4910044 0.89 AVPR2 (0.38) AVPR2AVPR1AAVPR1BROCK2PDCD1
SCHEMBL4910971 0.89 AVPR2 (0.38) AVPR2AVPR1AAVPR1BROCK2PDCD1
SCHEMBL4914325 0.88 AVPR2 (0.38) AVPR2AVPR1AAVPR1BROCK2PDCD1
SCHEMBL4904122 0.87 AVPR2 (0.39) AVPR2AVPR1AAVPR1BROCK2PDCD1
SCHEMBL4915008 0.87 AVPR2 (0.36) AVPR2AVPR1AAVPR1BROCK2PDCD1
SCHEMBL5240656 0.86 AVPR2 (0.40) AVPR2AVPR1AAVPR1BROCK2PDCD1
SCHEMBL14432405 0.85 ROCK2 (0.36) AVPR2AVPR1AAVPR1BROCK2PDCD1

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 AVPR2 180/4885AVPR1A 515/4885AVPR1B 158/4885

“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.