SCHEMBL30733932

SCHEMBL30733932

O=C(CN1CCNCC1)CN1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.53
CHRM3 P20309 2/20 0.53
SIGMAR1 Q99720 6/20 0.48
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CHKA P35790 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CXCR4 P61073 1/20 0.37

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
SCHEMBL18197679 0.86 CHRM5 (0.52) CHRM5CHRM3SIGMAR1CA2CA12
Hydrochloric Acid SCHEMBL4961046 0.84 CHRM5 (0.50) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL2762291 0.83 SIGMAR1 (0.50) CHRM5CHRM3SIGMAR1POLBSMN1; SMN2
SCHEMBL62989 0.82 CHRM5 (0.52) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL337070 0.82 HSD17B10 (0.52) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL62990 0.82 HSD17B10 (0.52) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL20261918 0.81 CHRM5 (0.56) CHRM5CHRM3SIGMAR1POLBSMN1; SMN2
SCHEMBL24247411 0.80 CHRM5 (0.55) CHRM5CHRM3SIGMAR1CA2CA12
Hydrochloric Acid SCHEMBL4441607 0.80 CHRM5 (0.50) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL8038 0.80 CHRM5 (0.55) CHRM5CHRM3SIGMAR1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2024-07-11 US disclosed
EP-4306522-A1 FUSED RING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND APPLICATION THEREOF Zhejiang University (CN) 2024-01-17 EP 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-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF TRPM2, TRPM8, TRPM7 CHRM5 673/4885CHRM3 591/4885SIGMAR1 2917/4885

“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.