SCHEMBL2401641

SCHEMBL2401641

COC(=O)[C@@H]1CCC[C@H](N)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ULK1 O75385 3/20 0.35
▸ PPM1B O75688 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PPP1CC P36873 1/20 0.35
▸ SMYD3 Q9H7B4 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
SCHEMBL2983518 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14166088 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1543561 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28410100 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1543564 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1543565 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL18047346 0.98 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL10705966 0.98 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2175329 0.98 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL14166087 0.98 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 — — EP disclosed
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 — — US disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 — — WO disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 — — US disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 — — US disclosed
EP-4056562-A1 HETEROCYCLIC INHIBITORS OF BRUTON'S TYROSINE KINASE Merck Patent GmbH (DE) 2022-09-14 — — EP disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 — — US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 — — US disclosed
CN-106831732-B Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity 默克专利有限公司 2019-12-24 — — CN disclosed
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2019-09-17 — — US disclosed
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2015-09-17 — — US disclosed
US-9073947-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2015-07-07 — — US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 — — US disclosed
US-20150148349-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-28 — — US disclosed
US-20150148349-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-28 — — US disclosed
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2014-06-12 — — US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 — — US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 — — US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 — — US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 — — 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 (10 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 SMN1; SMN2 1247/4885CHRNB2 2579/4885CHRNA4 3751/4885
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 SMN1; SMN2 2779/4885CHRNB2 3357/4885CHRNA4 3572/4885
US-20150148349-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF C5, C3AR1, C9 SMN1; SMN2 3448/4885CHRNB2 2396/4885CHRNA4 2332/4885
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK SMN1; SMN2 4722/4885CHRNB2 4570/4885CHRNA4 4596/4885
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK SMN1; SMN2 4722/4885CHRNB2 4570/4885CHRNA4 4596/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 SMN1; SMN2 1247/4885CHRNB2 2579/4885CHRNA4 3751/4885
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK SMN1; SMN2 4722/4885CHRNB2 4570/4885CHRNA4 4596/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 SMN1; SMN2 1247/4885CHRNB2 2579/4885CHRNA4 3751/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 SMN1; SMN2 2779/4885CHRNB2 3357/4885CHRNA4 3572/4885
US-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 SMN1; SMN2 1659/4885CHRNB2 836/4885CHRNA4 600/4885

“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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