SCHEMBL30697248

SCHEMBL30697248

NC1CCC(N2CCN(CC3CCCC3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.50
ADRA2C P18825 1/20 0.50
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CCR2 P41597 1/20 0.34

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
SCHEMBL24474498 1.00 CHRM5 (0.50) CHRM5ADRA2CACHEKDM4ETDP1
SCHEMBL22570086 0.98 CHRM5 (0.53) CHRM5ADRA2CACHEKDM4ETDP1
SCHEMBL842660 0.92 CHRM5 (0.39) CHRM5ADRA2CACHEKDM4ETDP1
SCHEMBL372638 0.92 CHRM5 (0.39) CHRM5ADRA2CACHEKDM4ETDP1
SCHEMBL372637 0.92 CHRM5 (0.39) CHRM5ADRA2CACHEKDM4ETDP1
Hydrochloric Acid SCHEMBL19002912 0.91 CHRM5 (0.38) CHRM5ADRA2CACHEKDM4ETDP1
Hydrochloric Acid SCHEMBL19002911 0.91 CHRM5 (0.38) CHRM5ADRA2CACHEKDM4ETDP1
Hydrochloric Acid SCHEMBL3487702 0.91 CHRM5 (0.38) CHRM5ADRA2CACHEKDM4ETDP1
Hydrochloric Acid SCHEMBL3487703 0.91 CHRM5 (0.38) CHRM5ADRA2CACHEKDM4ETDP1
SCHEMBL1204165 0.89 CHRM5 (0.42) CHRM5ADRA2CACHEKDM4ETDP1

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-20230416271-A1 HETEROARYLQUINAZOLINE COMPOUNDS AS PROTEIN KINASE INHIBITORS Chengdu Cynogen Bio-Pharmaceutical Technology Co., Ltd. (CN) 2023-12-28 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-20230416271-A1 HETEROARYLQUINAZOLINE COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK9, CDK2, CDK6 CHRM5 4880/4885ADRA2C 4361/4885ACHE 4567/4885

“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.