SCHEMBL1241647

SCHEMBL1241647

CN1CCC(C(=O)N2CCNCC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.74
▸ CHRNA3 P32297 2/20 0.74
▸ CHRNA4 P43681 2/20 0.74
▸ CHRNB3 Q05901 1/20 0.74
▸ CHRNA6 Q15825 1/20 0.74
▸ HTT P42858 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CA2 P00918 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ CHKA P35790 1/20 0.39

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
SCHEMBL23123862 0.89 CHRNB2 (0.63) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23123861 0.89 CHRNB2 (0.63) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Trifluoroacetic Acid SCHEMBL29701059 0.89 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8314 0.86 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1485214 0.85 HTT (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27109077 0.84 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1706180 0.84 CHRNB2 (0.87) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL1018088 0.84 CHRNB2 (0.95) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Piperazine SCHEMBL28221523 0.84 CHRNB2 (0.95) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8194135 0.84 HTT (0.71) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092791-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 — — US disclosed
WO-2024006403-A2 SELECTIVE HISTONE DEACETYLASE 8 (HDAC8) DEGRADERS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-04 — — WO disclosed
WO-2023205892-A1 CDK INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-11-02 — — WO disclosed
US-20230234939-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 2023-07-27 — — US disclosed
WO-2023285497-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIBIOTICS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-19 — — WO disclosed
US-20220389003-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-12-08 — — US disclosed
US-11390604-B2 Imidazole-pyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2022-07-19 — — US disclosed
WO-2021055744-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2021-03-25 — — WO disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 — — EP disclosed
US-20200290998-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 — — US disclosed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 — — EP disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 — — EP disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 — — WO disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 — — WO disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — WO disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 — — US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 — — EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 — — EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 — — US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 — — 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 (8 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-20200290998-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES F12, RIN1, CYP3A7 CHRNB2 4803/4885CHRNA3 4174/4885CHRNA4 4491/4885
US-11390604-B2 Imidazole-pyrazole derivatives F12, CYP3A7, NLRP3 CHRNB2 4848/4885CHRNA3 4315/4885CHRNA4 4648/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CHRNB2 126/4885CHRNA3 85/4885CHRNA4 74/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS CHRNB2 122/4885CHRNA3 80/4885CHRNA4 68/4885
US-20240092791-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA CHRNB2 1864/4885CHRNA3 1805/4885CHRNA4 1999/4885
US-20220389003-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS PARG, PARP11, PARN CHRNB2 4161/4885CHRNA3 3475/4885CHRNA4 3893/4885
US-20230234939-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS CYP3A7, NISCH, ARG1 CHRNB2 4870/4885CHRNA3 4724/4885CHRNA4 4837/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CHRNB2 126/4885CHRNA3 85/4885CHRNA4 74/4885

“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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