SCHEMBL3766890

SCHEMBL3766890

CC(C)(C)OC(=O)N1CCN(CCCSc2cccs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.48
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GBA1 P04062 1/20 0.42
EPHX2 P34913 6/20 0.41
SIGMAR1 Q99720 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
DTYMK P23919 1/20 0.40

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
SCHEMBL4708975 0.85 KDM4E (0.36) ACKR3HRH2HRH1SIGMAR1
SCHEMBL8618331 0.83 GPR119 (0.49) GPR119
SCHEMBL5228089 0.81 SMN1; SMN2 (0.53) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL26826092 0.78 ALDH1A1 (0.62) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL9744195 0.78 SMN1; SMN2 (0.55) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL14768643 0.75 SMN1; SMN2 (0.53) ACKR3SMN1; SMN2GPR119
SCHEMBL2023366 0.75 SMN1; SMN2 (0.72) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL20873847 0.75 USP2 (0.53) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4772966 0.74 GPR119 (0.52) GPR119
SCHEMBL3905754 0.74 GBA1 (0.49) ACKR3CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B ACKR3 4838/4885CHRM2 4610/4885CHRM4 4327/4885

“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.