SCHEMBL2418463

SCHEMBL2418463

CC(=O)N1CCNC(C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.47
HRH4 Q9H3N8 1/20 0.44
CHRNB2 P17787 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNB3 Q05901 2/20 0.43
CHRNA6 Q15825 2/20 0.43
CHRNB4 P30926 2/20 0.42
CHRNA7 P36544 1/20 0.39
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
REN P00797 1/20 0.36
CA2 P00918 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2422071 1.00 BIRC2 (0.47) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL2418461 1.00 BIRC2 (0.47) BIRC2HRH4CHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL18150389 0.98 BIRC2 (0.46) BIRC2HRH4CHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL4223891 0.98 BIRC2 (0.46) BIRC2HRH4CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL15105232 0.88 BIRC2 (0.40) BIRC2HRH4CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL15105233 0.88 BIRC2 (0.40) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL28120270 0.84 BIRC2 (0.49) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL28048803 0.84 BIRC2 (0.49) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL27957087 0.84 BIRC2 (0.49) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL190024 0.83 BIRC2 (0.47) BIRC2HRH4CHRNB2CHRNA3CHRNA4

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-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2024-09-26 US disclosed
US-20240294550-A1 8-OXA-3-AZABICYCLO[3.2.1]OCTANE COMPOUNDS OR SALT THEREOF, AND PREPARATION METHOD AND USE THEREOF LITTDD MEDICINES LTD (CN) 2024-09-05 US disclosed
EP-4378943-A1 8-OXO-3-AZABICYCLO[3.2.1]OCTANE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF Littdd Medicines Ltd (CN) 2024-06-05 EP disclosed
CN-118043325-A 8-Oxo-3-azabicyclo [3.2.1] octane compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-05-14 CN disclosed
EP-4359081-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN Novartis AG (CH) 2024-05-01 EP disclosed
CN-117425649-A Pyrazole derivatives as KRAS mutein inhibitors 诺华股份有限公司 2024-01-19 CN disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
CN-115677730-A 8-oxygen-3-azabicyclo [3.2.1] octane compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2023-02-03 CN disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
US-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed
US-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-4560755-A VASODILATOR, HYPOTENSOR ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-12-24 US disclosed
US-4525589-A Isoquinolinesulfonyl derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-25 US disclosed
EP-0061673-B1 ISOQUINOLINESULFONYL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-24 EP disclosed
US-4456757-A MUSCLE RELAXANTS, VASODILATORS, HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
EP-0061673-A1 Isoquinolinesulfonyl derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-10-06 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 (5 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-20240294550-A1 8-OXA-3-AZABICYCLO[3.2.1]OCTANE COMPOUNDS OR SALT THEREOF, AND PREPARATION METHOD AND USE THEREOF ATR, OGG1, ATRIP BIRC2 717/4885HRH4 4767/4885CHRNB2 2288/4885
US-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC BIRC2 4456/4885HRH4 253/4885CHRNB2 93/4885
US-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI BIRC2 1198/4885HRH4 745/4885CHRNB2 4758/4885
US-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN KRAS, NRAS, APC BIRC2 1238/4885HRH4 2115/4885CHRNB2 4860/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 BIRC2 1/4885HRH4 824/4885CHRNB2 553/4885

“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.