SCHEMBL3439799

SCHEMBL3439799

CN1CCN(CCCNC(=O)CCN(C)Sc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.48
▸ DRD3 P35462 7/20 0.48
▸ DRD4 P21917 6/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ SLC6A4 P31645 3/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL13063119 0.97 DRD2 (0.52) DRD2DRD3DRD4OPRM1KMT2A
SCHEMBL13063127 0.88 DRD2 (0.48) DRD2DRD3DRD4OPRM1
SCHEMBL13063379 0.86 DRD2 (0.48) DRD2DRD3DRD4OPRM1
SCHEMBL13063129 0.85 DRD2 (0.52) DRD2DRD3DRD4OPRM1
SCHEMBL12047501 0.82 DRD2 (0.46) DRD2DRD3
SCHEMBL3439811 0.80 DRD2 (0.43) DRD2DRD3DRD4KMT2A
SCHEMBL3439982 0.80 DRD2 (0.48) DRD2DRD3DRD4OPRM1SLC6A4
SCHEMBL12012107 0.78 MAPT (0.52) KMT2AHSD17B10
SCHEMBL3439732 0.77 DRD2 (0.52) DRD2DRD3DRD4OPRM1KMT2A
SCHEMBL12012096 0.74 MEN1 (0.41) KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 — — US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 — — EP disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US 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-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 DRD2 25/4885DRD3 14/4885DRD4 17/4885

“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.

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