SCHEMBL1994148

SCHEMBL1994148

O=C1CCc2cc(OCC3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.48
EPHX2 P34913 2/20 0.47
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PAK1 Q13153 1/20 0.43
CCR2 P41597 1/20 0.43
KCNH2 Q12809 1/20 0.43
FAAH O00519 1/20 0.43
TRPV1 Q8NER1 3/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
MOGAT2 Q3SYC2 1/20 0.42

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
SCHEMBL2036364 0.91 KIF11 (0.50) KIF11MAPTSMN1; SMN2KCNH2
SCHEMBL12600343 0.90 KIF11 (0.48) KIF11MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL14124577 0.90 EPHX2 (0.46) EPHX2MAPTPAK1CCR2KCNH2
SCHEMBL14124585 0.89 GRIN2D (0.48) EPHX2MAPTSMN1; SMN2FAAHPDE3B
SCHEMBL1991670 0.89 ALOX5 (0.51) EPHX2MAPTSMN1; SMN2KCNH2PDE3B
SCHEMBL14124560 0.89 MAPT (0.42) EPHX2MAPTPDE3BPDE3A
SCHEMBL14124561 0.88 SMN1; SMN2 (0.43) EPHX2MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL15746493 0.86 SMN1; SMN2 (0.48) MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL14124576 0.81 CHRNA7 (0.46) CCR2KCNH2
SCHEMBL12599658 0.80 MAOA (0.42) MAPTSMN1; SMN2PDE3BPDE3A

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 11 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-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 KIF11 1911/4885EPHX2 1805/4885MAPT 126/4885
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders NR2C2, GRIN2C, CNR1 KIF11 3051/4885EPHX2 883/4885MAPT 2874/4885

“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.