SCHEMBL3032685

SCHEMBL3032685

CN(C)CCO[P](=O)OCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CA12 O43570 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 2/20 0.34
DNM1 Q05193 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL9533464 0.77 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29350415 0.74
SCHEMBL11831916 0.74 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10013987 0.72 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19708014 0.70 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20924767 0.70 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19480772 0.70
SCHEMBL3853831 0.67 CA1 (0.33) CA2CA1
SCHEMBL16501550 0.67 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15091 0.65 CA12 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651237-B1 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS JOHNSON & JOHNSON CONSUMER (US) 2012-09-19 EP disclosed
US-20100202989-A1 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS WANG BING 2010-08-12 US disclosed
EP-1651237-A4 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS JOHNSON & JOHNSON CONSUMER (US) 2008-10-01 EP disclosed
EP-1651237-A2 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS Galileo Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005016270-A2 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS GALILEO PHARMACEUTICALS, INC. (US) 2005-02-24 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-20100202989-A1 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS KRT18, CUTA, TUBB1 CHRM2 3645/4885CHRM4 4225/4885CHRM5 3572/4885

“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.