SCHEMBL428188

SCHEMBL428188

Cc1ccnc(OCC2CCCN2C)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.56
CHRNA4 P43681 4/20 0.56
CHRNB1 P11230 3/20 0.56
CHRNB4 P30926 3/20 0.56
CHRNA3 P32297 3/20 0.56
CHRNB3 Q05901 3/20 0.56

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
SCHEMBL445198 0.83 CHRNA1 (0.51) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL29697723 0.80 CHRNB4 (0.63) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7373184 0.77 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL427054 0.77 HRH3 (0.44)
SCHEMBL13452624 0.77 HTR1D (0.49) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL23886224 0.76 SSTR4 (0.39) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL25181388 0.76 SSTR4 (0.39) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL16453454 0.76 KDM4E (0.44)
SCHEMBL8441392 0.76 CHRNB1 (0.63) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL15086907 0.76 UHRF1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 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 (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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CHRNB2 3416/4885CHRNA4 3387/4885CHRNB1 2042/4885

“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.