SCHEMBL2632683

SCHEMBL2632683

CCCCOC1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.51
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
GBA1 P04062 1/20 0.38
KCNH2 Q12809 5/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
GNAI3 P08754 6/20 0.34
GNAO1 P09471 6/20 0.34
GNAI1 P63096 6/20 0.34
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2632445 1.00 CHRM1 (0.51) CHRM1CHRM2CHRM3GBA1KCNH2
SCHEMBL10049922 1.00 CHRM1 (0.51) CHRM1CHRM2CHRM3GBA1KCNH2
SCHEMBL25501634 0.94 CHRM1 (0.47) CHRM1CHRM2CHRM3GBA1KCNH2
SCHEMBL14924890 0.94 CHRM1 (0.47) CHRM1CHRM2CHRM3GBA1KCNH2
SCHEMBL19834937 0.92 GBA1 (0.46) CHRM1CHRM2CHRM3GBA1KCNH2
SCHEMBL19833602 0.92 GBA1 (0.46) CHRM1CHRM2CHRM3GBA1KCNH2
SCHEMBL3012066 0.89 CHRM1 (0.42) CHRM1CHRM2CHRM3GBA1MAOA
SCHEMBL5830706 0.88
SCHEMBL3562028 0.88
SCHEMBL3020121 0.88 CHRM1 (0.43) CHRM1GBA1SLC6A2SLC6A4SLC6A3

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-8163938-B2 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2012-04-24 US disclosed
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE ARGENTA DISCOVERY 2009 LIMITED (GB) 2011-05-26 US disclosed
US-20110004006-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2011-01-06 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 (2 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-20110004006-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF KCNH2, KCNC1, KCNH3 CHRM1 1145/4885CHRM2 626/4885CHRM3 227/4885
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRM1 3310/4885CHRM2 3852/4885CHRM3 2735/4885

“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.