SCHEMBL3139717

SCHEMBL3139717

COc1cccc(C(=O)CCCN2CCC(O)(c3ccccc3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.73
▸ DRD4 P21917 5/20 0.62
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ADRA1A P35348 1/20 0.55
▸ DRD3 P35462 1/20 0.54

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
SCHEMBL9051915 0.94 DRD2 (0.73) DRD2DRD4MEN1ALDH1A1LMNA
SCHEMBL3139402 0.91 DRD2 (0.73) DRD2DRD4MEN1KMT2AADRA1A
SCHEMBL9052271 0.88 DRD2 (0.78) DRD2MEN1ALDH1A1LMNAKMT2A
SCHEMBL8986029 0.85 DRD2 (1.00) DRD2DRD4MEN1KMT2AADRA1A
SCHEMBL9053114 0.85 DRD2 (0.73) DRD2DRD4MEN1KMT2AADRA1A
SCHEMBL9052262 0.81 DRD2 (0.78) DRD2DRD4ADRA1ADRD3
SCHEMBL3134734 0.81 DRD2 (0.71) DRD2DRD4MEN1KMT2AADRA1A
SCHEMBL9053073 0.80 DRD2 (0.80) DRD2ADRA1ADRD3
SCHEMBL9050723 0.80 DRD2 (0.83) DRD2DRD4MEN1KMT2AADRA1A
SCHEMBL9053428 0.80 DRD2 (0.74) DRD2ADRA1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203492-B Substituted butyrophenone derivatives CLERA INC 2011-05-04 — — CN disclosed
US-20100004289-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2010-01-07 — — US disclosed
EP-1874730-A4 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC (CA) 2009-06-10 — — EP disclosed
CN-101203492-A Substituted butyrophenone derivatives CLERA INC (CA) 2008-06-18 — — CN disclosed
EP-1874730-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES Clera Inc. (CA) 2008-01-09 — — EP disclosed
WO-2006116848-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2006-11-09 — — 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-20100004289-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES DBH, SLC6A3, GABBR1 DRD2 12/4885DRD4 5/4885MEN1 4322/4885

“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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