SCHEMBL22686379

SCHEMBL22686379

CN1CCCC1c1cc(Br)cnc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CHRNA7 P36544 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNA2 Q15822 1/20 0.42

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
SCHEMBL22686378 1.00 ALDH1A1 (0.42) ALDH1A1LMNACHRNA7TDP1CHRNB2
Formaldoxime SCHEMBL28447516 0.92 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL21647191 0.84 CHRNB2 (0.47) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6366698 0.80 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL28961390 0.73 CHRNB2 (0.55) ALDH1A1LMNACHRNA7TDP1CHRNB2
SCHEMBL4299439 0.72 NTRK1 (0.47)
SCHEMBL11233101 0.72 CHRNB2 (0.43) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3058805 0.71 CHRNB2 (0.62) ALDH1A1LMNACHRNA7TDP1CHRNB2
SCHEMBL3058809 0.71 CHRNB2 (0.62) ALDH1A1LMNACHRNA7TDP1CHRNB2
SCHEMBL17264284 0.71 CHRNB2 (0.62) ALDH1A1LMNACHRNA7TDP1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591342-B2 Heterocyclic compound, application thereof and pharmaceutical composition comprising same Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2023-02-28 US disclosed
CN-111620865-B Heterocyclic compound, application thereof and pharmaceutical composition containing same 苏州信诺维医药科技股份有限公司 2021-06-11 CN disclosed
EP-3753943-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-12-23 EP disclosed
US-20200369676-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-11-26 US disclosed
CN-111620864-A Heterocyclic compound, application thereof and pharmaceutical composition containing same 苏州信诺维医药科技有限公司 2020-09-04 CN disclosed
CN-111620865-A Heterocyclic compound, application thereof and pharmaceutical composition containing same 苏州信诺维医药科技有限公司 2020-09-04 CN disclosed
CN-110156772-B Heterocyclic compound, application thereof and pharmaceutical composition containing same 苏州信诺维医药科技有限公司 2020-08-07 CN 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-11591342-B2 Heterocyclic compound, application thereof and pharmaceutical composition comprising same ENPP2, ATXN10, PCSK9 ALDH1A1 3517/4885LMNA 1935/4885CHRNA7 859/4885
US-20200369676-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ENPP2, ATXN10, PCSK9 ALDH1A1 3517/4885LMNA 1935/4885CHRNA7 859/4885

“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.