SCHEMBL958636

SCHEMBL958636

Clc1ccc(Cn2cc[c]n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP2B6 P20813 1/20 0.43
NOTUM Q6P988 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
THRB P10828 1/20 0.37
DBH P09172 1/20 0.37

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
SCHEMBL583731 0.84 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2KDM4EMAPT
SCHEMBL957615 0.84 KMT2A (0.49) KDM4EMAPTPOLBRAB9ASMN1; SMN2
SCHEMBL959163 0.80 KDM4E (0.50) CYP19A1KDM4EMAPTALDH1A1RAB9A
SCHEMBL958758 0.80 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2
SCHEMBL959156 0.78 CYP3A4 (0.47) CYP11B2LMNACYP3A4CYP2C9
SCHEMBL11031678 0.73 CYP11B1 (0.50) CYP11B1KDM4EALDH1A1L3MBTL1ATM
SCHEMBL6813771 0.72 ENPP2 (0.42) KDM4EMAPTHTTLMNAKMT2A
SCHEMBL28827046 0.72 CYP11B1 (0.49) CYP19A1CYP11B1CYP11B2ALDH1A1L3MBTL1
SCHEMBL16347306 0.72 CYP11B1 (0.49) CYP11B1CYP11B2ALDH1A1SMN1; SMN2IDO1
SCHEMBL2699902 0.69 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
CN-103025724-A Piperidine derivatives HOFFMANN LA ROCHE 2013-04-03 CN disclosed
CN-102947311-A 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators HOFFMANN LA ROCHE 2013-02-27 CN disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
CN-102471322-A Pyridone glucokinase activators HOFFMANN LA ROCHE 2012-05-23 CN disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CYP2A6 257/4885CYP19A1 1342/4885CYP11B1 1415/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CYP2A6 1902/4885CYP19A1 1523/4885CYP11B1 1399/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 CYP2A6 1137/4885CYP19A1 1880/4885CYP11B1 248/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CYP2A6 419/4885CYP19A1 1598/4885CYP11B1 1322/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 CYP2A6 1137/4885CYP19A1 1880/4885CYP11B1 248/4885

“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.