SCHEMBL13063119

SCHEMBL13063119

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.52
▸ DRD3 P35462 13/20 0.52
▸ DRD4 P21917 9/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ HTR1A P08908 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL3439799 0.97 DRD2 (0.48) DRD2DRD3DRD4OPRM1KMT2A
SCHEMBL13063127 0.91 DRD2 (0.48) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL13063379 0.89 DRD2 (0.48) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL13063129 0.88 DRD2 (0.52) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL12047501 0.81 DRD2 (0.46) DRD2DRD3
SCHEMBL3439732 0.80 DRD2 (0.52) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL3439811 0.79 DRD2 (0.43) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL3439982 0.77 DRD2 (0.48) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL12012107 0.77 MAPT (0.52) MEN1KMT2A
SCHEMBL12914429 0.76 DRD2 (0.46) DRD2DRD3DRD4OPRM1HTR2A

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-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 — — US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 DRD2 45/4885DRD3 33/4885DRD4 28/4885

“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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