SCHEMBL3419103

SCHEMBL3419103

CCCCN(CCCC)c1ccc(C=CC=CC=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
APP P05067 2/20 0.44
ALDH1A1 P00352 4/20 0.43
ALDH3A1 P30838 1/20 0.43
ALDH1A3 P47895 1/20 0.43
INSR P06213 1/20 0.42
AR P10275 2/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GABRA1 P14867 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
SCHEMBL3419099 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29952795 0.94 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3218451 0.90 APP (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3218447 0.90 APP (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915599 0.86 APP (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915601 0.86 APP (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915602 0.86 APP (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9480752 0.85 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9480747 0.85 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16295267 0.84 CHRM2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357350-B2 Annulus fibrosus detection in intervertebral discs using molecular imaging agents GENERAL ELECTRIC COMPANY (US) 2013-01-22 US disclosed
US-20100202965-A1 ANNULUS FIBROSUS DETECTION IN INTERVERTEBRAL DISCS USING MOLECULAR IMAGING AGENTS GENERAL ELECTRIC COMPANY (US) 2010-08-12 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-20100202965-A1 ANNULUS FIBROSUS DETECTION IN INTERVERTEBRAL DISCS USING MOLECULAR IMAGING AGENTS BMP1, TMEM14C, NPPA CHRM2 4752/4885CHRM4 4818/4885CHRM5 4826/4885

“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.