SCHEMBL6181599

SCHEMBL6181599

CCCC[N]CC[N]CCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NAAA Q02083 1/20 0.39
DNM1 Q05193 5/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC22A1 O15245 1/20 0.37

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
SCHEMBL2531 0.96
SCHEMBL9244698 0.92 TSHR (0.50) TSHRTHRBLMNAMEN1KMT2A
SCHEMBL4982453 0.89 TSHR (0.57) TSHRTHRBLMNAMEN1KMT2A
SCHEMBL9208656 0.89 TSHR (0.57) TSHRTHRBLMNAMEN1KMT2A
SCHEMBL101836 0.89
SCHEMBL9213355 0.89 TSHR (0.57) TSHRTHRBLMNAMEN1KMT2A
SCHEMBL1926091 0.89 TSHR (0.57) TSHRTHRBLMNAMEN1KMT2A
SCHEMBL7680901 0.89 TSHR (0.57) TSHRTHRBLMNAMEN1KMT2A
SCHEMBL8857143 0.89 TSHR (0.57) TSHRTHRBLMNAMEN1KMT2A
SCHEMBL8857482 0.89 TSHR (0.57) TSHRTHRBLMNAMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 US claimed
EP-1392317-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-10-19 EP claimed
EP-1392317-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2004-03-03 EP claimed
WO-2002100327-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2002-12-19 WO claimed
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 US disclosed
EP-1392317-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-10-19 EP disclosed
EP-1392317-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2004-03-03 EP disclosed
WO-2002100327-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2002-12-19 WO 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-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX TSHR 4352/4885THRB 3436/4885LMNA 1363/4885

“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.