SCHEMBL12337282

SCHEMBL12337282

CCN1CCN(C(=O)COC)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
HSD11B1 P28845 5/20 0.49
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.44
CYP2D6 P10635 1/20 0.43
ACHE P22303 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 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
SCHEMBL14010813 0.87
SCHEMBL8402970 0.87 ALDH1A1 (0.51) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL24260095 0.82 TSHR (0.46) KMT2AHSD11B1KDM4EMAPTALDH1A1
SCHEMBL13492941 0.82 ALDH1A1 (0.53) KMT2AHSD11B1KDM4EMAPTALDH1A1
SCHEMBL772825 0.82 MAPT (0.43) KMT2AMAPTALDH1A1POLBCYP2D6
SCHEMBL23134734 0.81 KMT2A (0.45) KMT2AHSD11B1MAPTALDH1A1POLB
SCHEMBL8213345 0.81 HSD11B1 (0.56) KMT2AHSD11B1KDM4EALDH1A1MEN1
SCHEMBL13629812 0.81 GAA (0.42) KMT2AMAPTALDH1A1POLBCYP2D6
SCHEMBL12141777 0.81 HSD11B1 (0.53) KMT2AHSD11B1KDM4EALDH1A1MEN1
SCHEMBL14871086 0.81 ALDH1A1 (0.47) KMT2AHSD11B1KDM4EMAPTALDH1A1

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-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
EP-3380474-B1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
US-10174027-B2 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 US disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 WO disclosed
US-9115101-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2015-08-25 US disclosed
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH INC (US) 2014-01-30 US disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 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 (4 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-10174027-B2 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF KMT2A 1448/4885HSD11B1 2562/4885KDM4E 695/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF KMT2A 1448/4885HSD11B1 2562/4885KDM4E 695/4885
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA KMT2A 461/4885HSD11B1 180/4885KDM4E 2084/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R KMT2A 1749/4885HSD11B1 682/4885KDM4E 3164/4885

“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.