SCHEMBL1990355

SCHEMBL1990355

CC(C)(C)OC(=O)N1CC(COc2ccc3c(c2)CCC(=O)N3)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.47
MAOB P27338 5/20 0.47
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
GPR119 Q8TDV5 1/20 0.42
CRBN Q96SW2 2/20 0.42
DDB1 Q16531 1/20 0.42
DRD2 P14416 1/20 0.41

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
SCHEMBL1996530 0.90 GPR119 (0.52) MAOAMAOBPDE3BPDE3AGPR119
SCHEMBL15545122 0.84 CRBN (0.44) MAOAMAOBPDE3BPDE3AGPR119
SCHEMBL1922609 0.82 GPR119 (0.64) MAOAMAOBPDE3BPDE3AGPR119
SCHEMBL19833969 0.81 NPC1 (0.47) GPR119
SCHEMBL14124564 0.80 MAOA (0.50) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL14056705 0.80 MAOB (0.51) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL14124589 0.79 PKM (0.46) MAOAMAOBPDE3BPDE3A
SCHEMBL429773 0.78 HRH3 (0.55) GPR119CRBNDDB1
SCHEMBL14124557 0.78 MAOB (0.53) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL12599648 0.78 MAOB (0.47) MAOAMAOBPDE3BPDE3ADRD2

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 MAOA 180/4885MAOB 144/4885PDE3B 3939/4885
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders NR2C2, GRIN2C, CNR1 MAOA 900/4885MAOB 1028/4885PDE3B 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.