SCHEMBL6877172

SCHEMBL6877172

CS(=O)(=O)Nc1cc(C(=O)N2CCNCC2)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAOB P27338 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OPRM1 P35372 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GAA P10253 1/20 0.41
NR2E1 Q9Y466 1/20 0.41

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
SCHEMBL29968962 1.00 OPRD1 (0.47) OPRD1CA12CA1CA2CA7
SCHEMBL6872576 0.88 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL6882826 0.87 OPRD1 (0.45) OPRD1CA12CA1CA2CA7
SCHEMBL29968975 0.87 OPRD1 (0.45) OPRD1CA12CA1CA2CA7
SCHEMBL6883992 0.86 NPSR1 (0.50) OPRD1CA12CA1CA2CA7
SCHEMBL29968772 0.84 OPRD1 (0.49) OPRD1MAOBKMT2AMEN1ALDH1A1
SCHEMBL5568497 0.84 OPRD1 (0.49) OPRD1MAOBKMT2AMEN1ALDH1A1
SCHEMBL6693686 0.83 KMT2A (0.49) OPRD1MAOBKMT2AMEN1ALDH1A1
SCHEMBL6699164 0.83 KMT2A (0.47) OPRD1CA12CA1CA2CA7
SCHEMBL5567749 0.83 KMT2A (0.57) OPRD1MAOBKMT2AMEN1ALDH1A1

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-20040235827-A1 Phospholipase C inhibitors for use in treating inflammatory disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-25 US claimed
WO-2004087654-A2 PHOSPHOLIPASE C INHIBITORS FOR USE IN TREATING INFLAMMATORY DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-14 WO claimed
US-20250017878-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY CHRONIC AIRWAY THERAPEUTICS LTD (AU) 2025-01-16 US disclosed
CN-117999073-A Use of nadolol to treat chronic obstructive pulmonary disease by blocking the inhibitor protein-2 pathway 慢性呼吸道治疗有限公司 2024-05-07 CN disclosed
EP-4304717-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY Chronic Airway Therapeutics Limited (AU) 2024-01-17 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 (2 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-20040235827-A1 Phospholipase C inhibitors for use in treating inflammatory disorders PLA2G4C, PLA2G4B, PLA2G5 OPRD1 1606/4885CA12 4695/4885CA1 3802/4885
US-20250017878-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY ARRB1, ADRB2, ADRB1 OPRD1 32/4885CA12 3438/4885CA1 4867/4885

“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.