SCHEMBL1996530

SCHEMBL1996530

CC(C)(C)OC(=O)N1CCC(COc2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.52
CHEK2 O96017 1/20 0.48
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
SLC2A1 P11166 1/20 0.46
DRD2 P14416 1/20 0.45
HDAC1 Q13547 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL1922609 0.90 GPR119 (0.64) GPR119PDE3BPDE3AMAOAMAOB
SCHEMBL1990355 0.90 MAOA (0.47) GPR119PDE3BPDE3ADRD2MAOA
SCHEMBL429773 0.85 HRH3 (0.55) GPR119CHEK2
SCHEMBL31718484 0.81 MAOA (0.61) PDE3BPDE3ADRD2MAOAMAOB
SCHEMBL1990653 0.81 MAOB (0.49) PDE3BPDE3ADRD2MAOAMAOB
SCHEMBL14124585 0.79 GRIN2D (0.48) PDE3BPDE3A
SCHEMBL12601013 0.79 MAOB (0.52) PDE3BPDE3ADRD2MAOAMAOB
SCHEMBL26668458 0.79 SLC2A1 (0.59) GPR119CHEK2SLC2A1
SCHEMBL15545122 0.79 CRBN (0.44) GPR119PDE3BPDE3AMAOAMAOB
SCHEMBL27040152 0.78 CRBN (0.59) GPR119CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders BABU RUPPA POORNACHARY KAMALESH (US) 2014-05-29 US disclosed
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders BABU RUPPA POORNACHARY KAMALESH (US) 2014-05-29 US disclosed
US-8680279-B2 Compounds for the treatment of neurological disorders NEUROP, INC. (US) 2014-03-25 US disclosed
US-8680279-B2 Compounds for the treatment of neurological disorders NEUROP, INC. (US) 2014-03-25 US disclosed
US-20120302543-A1 Compounds for the Treatment of Neurological Disorders NEUROP, INC. 2012-11-29 US disclosed
US-20120302543-A1 Compounds for the Treatment of Neurological Disorders NEUROP, INC. 2012-11-29 US disclosed
EP-2512241-A1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGIC DISORDERS Neurop, Inc. (US) 2012-10-24 EP disclosed
WO-2011075537-A1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGIC DISORDERS NEUROP, INC. (US) 2011-06-23 WO disclosed
WO-2011075537-A1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGIC DISORDERS NEUROP, INC. (US) 2011-06-23 WO 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-20120302543-A1 Compounds for the Treatment of Neurological Disorders GRIN2A, GRIN2B, GRIN2C GPR119 410/4885CHEK2 3064/4885PDE3B 3939/4885
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders NR2C2, GRIN2C, CNR1 GPR119 612/4885CHEK2 3480/4885PDE3B 4641/4885

“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.