SCHEMBL20835730

SCHEMBL20835730

CC(C)(C#N)[C@H]1CCC(c2cccc(Br)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
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CA1 P00915 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
SCHEMBL20835761 0.84 CHRNB4 (0.40) CHRNB4CHRNA3KDM4ECTSSCTSK
SCHEMBL20835883 0.84 CHRNB4 (0.40) CHRNB4CHRNA3KDM4ECTSSCTSK
SCHEMBL38652071 0.69 CHRNB4 (0.46) CHRNB4CHRNA3SMN1; SMN2HRH2HRH3
SCHEMBL20835498 0.63 CHRNB4 (0.46) CHRNB4CHRNA3
SCHEMBL19803468 0.61 L3MBTL1 (0.36) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL22451603 0.61 L3MBTL1 (0.36) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL20843461 0.61 L3MBTL1 (0.36) SMN1; SMN2MEN1KMT2AMAPTNPSR1
Water SCHEMBL28248751 0.61 ALDH1A1 (0.50) CHRNB4CHRNA3SMN1; SMN2KDM4ERAB9A
SCHEMBL2807123 0.59 CHRNB4 (0.90) CHRNB4CHRNA3ALDH1A1CYP1A2HPGD
SCHEMBL27924211 0.59 GABRG2 (0.50) SMN1; SMN2KDM4ERAB9ANPC1MEN1

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 490/4885SMN1; SMN2 3488/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR CHRNB4 385/4885CHRNA3 490/4885SMN1; SMN2 3488/4885

“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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