SCHEMBL20186579

SCHEMBL20186579

CC(C)(C)OC(=O)N1CC2CCCC1CNC2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CHRNB2 P17787 5/20 0.36
CHRNA4 P43681 5/20 0.36
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNA7 P36544 4/20 0.35
HPGD P15428 1/20 0.35
PREP P48147 2/20 0.35
HSD11B1 P28845 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL27043844 0.91 CHRM2 (0.43) CHRM2CHRM1CHRM3SMN1; SMN2HSD17B10
SCHEMBL30576874 0.91 CHRM2 (0.43) CHRM2CHRM1CHRM3SMN1; SMN2HSD17B10
SCHEMBL3235859 0.91 CHRM2 (0.43) CHRM2CHRM1CHRM3SMN1; SMN2HSD17B10
SCHEMBL1711553 0.85 CHRNB2 (0.46) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL16882811 0.85 CHRNB2 (0.46) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL928271 0.85 CHRNB2 (0.46) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1711225 0.85 CHRNB2 (0.46) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL18049747 0.79 HSD11B1 (0.39) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL18049609 0.79 USP2 (0.36) CHRM2CHRM1CHRM3SMN1; SMN2CHRNB2
SCHEMBL24502378 0.79 CHRM2 (0.56) CHRM2CHRM1CHRM3SMN1; SMN2HSD17B10

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-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D CHRM2 519/4885CHRM1 359/4885CHRM3 547/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D CHRM2 519/4885CHRM1 359/4885CHRM3 547/4885

“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.