SCHEMBL3668041

SCHEMBL3668041

CC(NC1CCCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
EPHX1 P07099 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 4/20 0.49
CYP2C19 P33261 3/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 1/20 0.49
RECQL P46063 2/20 0.49
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
NPSR1 Q6W5P4 4/20 0.45
HTT P42858 3/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
CYP2D6 P10635 2/20 0.44

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
SCHEMBL21104687 0.98 GAA (0.96) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL3671016 0.98 GAA (0.96) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL3665297 0.98 GAA (0.96) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL28091017 0.98 GAA (0.96) GAAL3MBTL1EPHX1LMNAMEN1
Hydrochloric Acid SCHEMBL28720089 0.96 GAA (0.93) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL664938 0.92 GAA (0.85) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL27818229 0.92 GAA (0.85) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL7751819 0.85 GAA (0.73) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL21919785 0.83 GAA (0.71) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL3665477 0.83 GAA (0.71) GAAL3MBTL1EPHX1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970394-A Novel cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA AS 2011-02-09 CN claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
CN-101970394-B Novel cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA AS 2015-05-27 CN disclosed
CN-101970394-A Novel cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA AS 2011-02-09 CN disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
US-7816533-B2 Asymmetric imine hydrogenation processes ABDUR-RASHID KAMALUDDIN 2010-10-19 US disclosed
US-7816533-B2 Asymmetric imine hydrogenation processes ABDUR-RASHID KAMALUDDIN 2010-10-19 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
US-20070293681-A1 Asymmetric Imine Hydrogenation Processes ABDUR-RASHID KAMALUDDIN 2007-12-20 US disclosed
US-20070293681-A1 Asymmetric Imine Hydrogenation Processes ABDUR-RASHID KAMALUDDIN 2007-12-20 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 (2 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 GAA 1308/4885L3MBTL1 4065/4885EPHX1 320/4885
US-20070293681-A1 Asymmetric Imine Hydrogenation Processes HRH3, HRH1, HRH4 GAA 4377/4885L3MBTL1 4709/4885EPHX1 2352/4885

“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.