SCHEMBL12440607

SCHEMBL12440607

CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CTSK P43235 2/20 0.57
BTK Q06187 2/20 0.54
HSD11B1 P28845 4/20 0.48
CYP2C9 P11712 1/20 0.48
JAK3 P52333 2/20 0.47
MAP4K4 O95819 2/20 0.46
GAA P10253 1/20 0.46
EPHX1 P07099 2/20 0.44
DRD2 P14416 2/20 0.44
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 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
SCHEMBL5007614 1.00 CA1 (0.63) CA1CA2CTSKBTKHSD11B1
SCHEMBL2729991 1.00 CA1 (0.63) CA1CA2CTSKBTKHSD11B1
SCHEMBL359644 0.90 CTSK (0.64) CA1CA2CTSKBTKHSD11B1
SCHEMBL428907 0.90 CTSK (0.64) CA1CA2CTSKBTKHSD11B1
SCHEMBL1959133 0.90 CTSK (0.64) CA1CA2CTSKBTKHSD11B1
Hydrochloric Acid SCHEMBL27630477 0.89 CTSK (0.62) CA1CA2CTSKBTKHSD11B1
SCHEMBL17793196 0.88 CA1 (0.56) CA1CA2CTSKBTKHSD11B1
SCHEMBL16528671 0.85 CTSK (0.58) CA1CA2CTSKBTKHSD11B1
SCHEMBL18035253 0.85 CTSK (0.58) CA1CA2CTSKBTKHSD11B1
SCHEMBL24476884 0.84 CA1 (0.63) CA1CA2CTSKBTKHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658654-A1 PYRROLO[1,2-D][1,2,4]TRIAZINES AND PYRAZOLO[1,5-D] [1,2,4]TRIAZINES AS NLRP3 INHIBITORS Janssen Pharmaceutica NV (BE) 2025-12-10 EP disclosed
WO-2024160691-A1 PYRROLO[1,2-d][1,2,4]TRIAZINES AND PYRAZOLO[1,5-d] [1,2,4]TRIAZINES AS NLRP3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-08-08 WO disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2016-10-13 US disclosed
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2014-09-11 US disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 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 (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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 CA1 2903/4885CA2 1549/4885CTSK 2807/4885
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 CA1 371/4885CA2 827/4885CTSK 1630/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 CA1 3554/4885CA2 2127/4885CTSK 1371/4885
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 CA1 4715/4885CA2 3229/4885CTSK 1597/4885
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 CA1 4715/4885CA2 3229/4885CTSK 1597/4885

“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.