SCHEMBL5497895

SCHEMBL5497895

C=Cc1ccc(N(CCCCC)CCCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 4/20 0.41
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
INSR P06213 1/20 0.40
AR P10275 1/20 0.40
KDM4A O75164 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CNR2 P34972 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8640779 0.98 INSR (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31184377 0.98 INSR (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31184618 0.98 INSR (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2829374 0.98 INSR (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL609812 0.94 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28579336 0.93 ALDH1A1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21378245 0.91 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13860143 0.89 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13860141 0.89 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL610718 0.86 ALDH1A1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US disclosed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 US disclosed
US-6680131-B1 Organic electroluminescent device SONY CORPORATION (JP) 2004-01-20 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-20060224017-A1 One pot sequential reactions and novel products produced thereby PNMT, CYP1A1, TERT CHRM2 4567/4885CHRM4 4677/4885CHRM5 4755/4885

“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.