SCHEMBL23645704

SCHEMBL23645704

CC1CCCN1Cc1ccc(-c2ccncc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.69
▸ ALDH1A1 P00352 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ POLB P06746 1/20 0.52
▸ KCNH2 Q12809 3/20 0.52
▸ LSS P48449 1/20 0.49
▸ PARP1 P09874 1/20 0.48

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
SCHEMBL13544149 0.91 HRH3 (0.71) HRH3ALDH1A1KDM4EPOLBKCNH2
SCHEMBL23644642 0.82 HRH3 (0.62) HRH3ALDH1A1KDM4EPOLBKCNH2
SCHEMBL23645706 0.80 HRH3 (0.63) HRH3ALDH1A1KDM4EKCNH2PARP1
SCHEMBL23645597 0.79 HRH3 (0.58) HRH3ALDH1A1KDM4EPOLBKCNH2
SCHEMBL24522256 0.79 HRH3 (0.71) HRH3ALDH1A1KDM4EPARP1
SCHEMBL16480464 0.79 ALDH1A1 (0.66) HRH3ALDH1A1KDM4EPARP1
SCHEMBL1639518 0.78 HRH3 (0.72) HRH3KCNH2
SCHEMBL4610176 0.78 ALDH1A1 (0.64) HRH3ALDH1A1KDM4EPOLBPARP1
SCHEMBL3562026 0.78 ALDH1A1 (0.90) HRH3ALDH1A1KDM4EPOLBPARP1
SCHEMBL4770791 0.78 ALDH1A1 (0.64) HRH3ALDH1A1KDM4EPOLBPARP1

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-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 — — 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-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP HRH3 2645/4885ALDH1A1 1170/4885KDM4E 1934/4885

“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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