SCHEMBL2477752

SCHEMBL2477752

CN(C)CCOc1ccc(Cl)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.56
▸ CHRNA4 P43681 2/20 0.56
▸ MAPT P10636 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.51
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ LTA4H P09960 1/20 0.50

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
SCHEMBL3656940 0.84 LTA4H (0.54) CHRNB2CHRNA4MAPTLTA4H
SCHEMBL14308132 0.80 CHRNB2 (0.62) CHRNB2CHRNA4HRH3KEAP1NFE2L2
SCHEMBL1109069 0.79 NPC1 (0.54) CHRNB2CHRNA4
SCHEMBL14222267 0.79 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL3361766 0.79 CHRNB2 (0.59) CHRNB2CHRNA4MAPTHRH3KEAP1
SCHEMBL31388561 0.79 CHRNB2 (0.56) CHRNB2CHRNA4HRH3KEAP1NFE2L2
SCHEMBL10256425 0.79 CHRNB2 (0.56) CHRNB2CHRNA4HRH3KEAP1NFE2L2
SCHEMBL29677772 0.79 CHRNB2 (0.56) CHRNB2CHRNA4HRH3KEAP1NFE2L2
SCHEMBL18291032 0.79 CHRNB2 (0.56) CHRNB2CHRNA4MAPTHRH3KEAP1
SCHEMBL32666857 0.79 CHRNB2 (0.56) CHRNB2CHRNA4HRH3KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 — — EP disclosed
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 — — EP disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 — — EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — WO disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 CHRNB2 2616/4885CHRNA4 3076/4885MAPT 4846/4885

“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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