SCHEMBL12376563

SCHEMBL12376563

CC(C)C#CCN1CCC(N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.41
CHRM4 P08173 10/20 0.41
CHRM5 P08912 10/20 0.41
CHRM1 P11229 10/20 0.41
CHRM3 P20309 10/20 0.41
AGTR2 P50052 2/20 0.34

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
SCHEMBL12794000 0.79 ACHE (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14979149 0.79 LMNA (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24793816 0.76 CHRM1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12376552 0.75 HTT (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12376567 0.75 CHRM1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20927591 0.74 LMNA (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22725674 0.74 LMNA (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20649067 0.74 LMNA (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2284333 0.73 BCHE (0.47)
SCHEMBL1308650 0.73 HRH3 (0.37)

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-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC CHRM2 3376/4885CHRM4 4086/4885CHRM5 4214/4885

“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.