SCHEMBL4905965

SCHEMBL4905965

CCCN(C)CCCOc1cc(C(=O)N2CC[C@H](C)Nc3ccccc32)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
AVPR2 P30518 2/20 0.35
AVPR1A P37288 2/20 0.35
AVPR1B P47901 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL4912250 1.00 HTR1D (0.39) HTR1DHTR1BMAPTALDH1A1POLB
SCHEMBL4915070 0.97 AVPR2 (0.38) HTR1DHTR1BMAPTALDH1A1POLB
SCHEMBL4909173 0.88 PDE4A (0.36) MAPTALDH1A1POLBHPGDTSHR
SCHEMBL4910137 0.88 PDE4A (0.36) MAPTALDH1A1POLBHPGDTSHR
SCHEMBL4909374 0.86 AVPR2 (0.38) HTR1DHTR1BMAPTALDH1A1POLB
SCHEMBL4913200 0.86 ROCK2 (0.40) HTR1DHTR1BMAPTALDH1A1POLB
SCHEMBL4904249 0.86 ALDH1A1 (0.40) ALDH1A1AVPR2THRBLMNAHTT
SCHEMBL4910971 0.85 AVPR2 (0.38) HTR1DHTR1BMAPTALDH1A1POLB
SCHEMBL4910044 0.85 AVPR2 (0.38) HTR1DHTR1BMAPTALDH1A1POLB
SCHEMBL4911669 0.85 KDM4E (0.37) HTR1BMAPTALDH1A1POLBHPGD

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 2 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
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 HTR1D 230/4885HTR1B 196/4885MAPT 3584/4885

“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.