SCHEMBL24402677

SCHEMBL24402677

CCC(C)C1CCNc2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ OPRL1 P41146 1/20 0.30
▸ ACE P12821 1/20 0.30
▸ NMT1 P30419 1/20 0.30

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
SCHEMBL18237542 0.84 GSK3B (0.34) CHRNB2CHRNA4TP53GSK3B
SCHEMBL1698223 0.76 OPRL1 (0.40) OPRL1
SCHEMBL1698222 0.73 CXCR4 (0.44) —
SCHEMBL19153952 0.73 GSK3B (0.40) CHRNB2CHRNA4GSK3BOPRL1
SCHEMBL1698199 0.70 OPRL1 (0.36) OPRL1
SCHEMBL18259028 0.69 KDM1A (0.34) CHRNB2CHRNA4GSK3B
SCHEMBL31669380 0.69 GSK3B (0.33) GSK3B
SCHEMBL21920702 0.69 FNTA (0.33) CHRNB2CHRNA4GSK3B
SCHEMBL1698226 0.69 CXCR4 (0.41) —
SCHEMBL19435835 0.68 CXCR4 (0.40) OPRL1

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-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 — — US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 — — 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-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA CHRNB2 2016/4885CHRNA4 2368/4885TP53 1694/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA CHRNB2 2016/4885CHRNA4 2368/4885TP53 1694/4885

“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.

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