SCHEMBL25626596

SCHEMBL25626596

CCC1Oc2ccc(N)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GFER P55789 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 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
SCHEMBL15013787 0.85 MAPT (0.38) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL15013577 0.82 GRM2 (0.38) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL15011154 0.80 GRM2 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL1168316 0.80 PRKCI (0.41) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL11575701 0.80 MAPT (0.36) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL13862088 0.79 CA2 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL15013549 0.79 GRM2 (0.45) MAPTALDH1A1NPC1RAB9ASRC
SCHEMBL12862906 0.78 MAPT (0.39) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL13817385 0.78 USP2 (0.42) GAAALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL2268647 0.77 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4MAPT

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-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 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-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 CHRNB4 17/4885CHRNA3 10/4885CHRNB2 23/4885

“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.