SCHEMBL1990653

SCHEMBL1990653

O=C1CCc2cc(OCC3CCN(C(=O)OCc4ccc(Cl)cc4)CC3)ccc2N1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
MAOA P21397 7/20 0.49
KCNH2 Q12809 1/20 0.48
GRIN2B Q13224 2/20 0.45
DRD2 P14416 1/20 0.44
MGLL Q99685 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
OGT O15294 1/20 0.41
F10 P00742 2/20 0.41
ENPP2 Q13822 1/20 0.40
ATXN2 Q99700 1/20 0.40

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
SCHEMBL12601013 0.91 MAOB (0.52) MAOBMAOAKCNH2GRIN2BDRD2
SCHEMBL14056705 0.91 MAOB (0.51) MAOBMAOAKCNH2DRD2PDE3B
SCHEMBL14124575 0.90 GRIN2B (0.44) MAOBMAOAKCNH2GRIN2BMGLL
SCHEMBL1993038 0.87 KCNH2 (0.49) MAOBMAOAKCNH2DRD2PDE3B
SCHEMBL1991670 0.83 ALOX5 (0.51) MAOBMAOAKCNH2DRD2PDE3B
SCHEMBL14124557 0.82 MAOB (0.53) MAOBMAOAKCNH2DRD2PDE3B
SCHEMBL15734976 0.81 MAOB (0.48) MAOBMAOAKCNH2DRD2PDE3B
SCHEMBL1996530 0.81 GPR119 (0.52) MAOBMAOADRD2PDE3BPDE3A
SCHEMBL12599648 0.80 MAOB (0.47) MAOBMAOAKCNH2DRD2MGLL
SCHEMBL14057640 0.80 MAOB (0.50) MAOBMAOAKCNH2DRD2PDE3B

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
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-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-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
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 MAOB 144/4885MAOA 180/4885KCNH2 244/4885
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders NR2C2, GRIN2C, CNR1 MAOB 1028/4885MAOA 900/4885KCNH2 144/4885

“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.