SCHEMBL20835761

SCHEMBL20835761

CC(C)(C#N)[C@H]1CCC(c2cccc(Cl)c2)=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ ALOX15 P16050 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ADORA1 P30542 4/20 0.35
▸ ADORA2A P29274 3/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 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
SCHEMBL20835883 1.00 CHRNB4 (0.40) CHRNB4CHRNA3ALOX15CNR2ADORA1
SCHEMBL20835730 0.84 CHRNB4 (0.40) CHRNB4CHRNA3KDM4EALDH1A1GAA
SCHEMBL21094101 0.73 KIF11 (0.41) CHRNB4CHRNA3CNR2KIF11CA1
SCHEMBL21094102 0.73 KIF11 (0.38) CHRNB4CHRNA3CNR2KIF11CA1
SCHEMBL21094089 0.72 CNR2 (0.38) CHRNB4CHRNA3CNR2KIF11CA1
SCHEMBL20835495 0.71 CHRNB4 (0.40) CHRNB4CHRNA3ALOX15ADORA1ADORA2A
SCHEMBL21093657 0.70 CA1 (0.43) CNR2KIF11CA1CA2
SCHEMBL38651839 0.69 TAAR1 (0.47) CHRNB4CHRNA3GAATP53KIF11
SCHEMBL20835615 0.68 ALOX15 (0.39) CHRNB4CHRNA3ALOX15CNR2ADORA1
SCHEMBL14457874 0.68 CHRNB4 (0.45) CHRNB4CHRNA3ALDH1A1TP53KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 — — US disclosed
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 — — CN disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 — — US disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 — — 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 (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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR CHRNB4 385/4885CHRNA3 490/4885ALOX15 2690/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR CHRNB4 385/4885CHRNA3 490/4885ALOX15 2690/4885

“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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