SCHEMBL16446405

SCHEMBL16446405

Cc1ccc(C2CCNCC2)o1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.53
CHRM4 P08173 8/20 0.53
CHRM5 P08912 8/20 0.53
CHRM1 P11229 8/20 0.53
CHRM3 P20309 8/20 0.53
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
HTR2C P28335 4/20 0.44
PLG P00747 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
USP7 Q93009 1/20 0.41
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL12252660 0.85
SCHEMBL10881613 0.81 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2595906 0.76 BCHE (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17147672 0.72 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19101156 0.72 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17147620 0.72 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5584863 0.71 BCHE (0.49) BCHEACHEHTR2CPLGGABRA1
SCHEMBL10901505 0.68 BCHE (0.50) BCHEACHEHTR2CPLGGABRA1
SCHEMBL3013313 0.68 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10901959 0.67 ACHE (0.65) BCHEACHEHTR2CPLGGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 US disclosed
EP-3030561-B1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LTD (IN) 2017-01-11 EP disclosed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 US disclosed
EP-3030561-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE Cadila Healthcare Limited (IN) 2016-06-15 EP disclosed
CN-105612154-A N-cyanomethylamides as inhibitors of Janus Kinase CADILA HEALTHCARE LTD 2016-05-25 CN disclosed
WO-2015019365-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2015-02-12 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-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE JAK1, JAK3, JAK2 CHRM2 3386/4885CHRM4 3720/4885CHRM5 3251/4885

“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.