SCHEMBL2036364

SCHEMBL2036364

O=C1CCc2cc(OCC3CN(C(=O)Nc4ccc(C(F)(F)F)cc4)C3)ccc2N1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.50
CHRNA7 P36544 12/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1994148 0.91 KIF11 (0.48) KIF11KCNH2MAPTSMN1; SMN2
SCHEMBL14124576 0.90 CHRNA7 (0.46) CHRNA7KCNH2
SCHEMBL2028099 0.89 KCNH2 (0.48) CHRNA7KCNH2MAPTSMN1; SMN2
SCHEMBL14124589 0.89 PKM (0.46) CHRNA7MAPTSMN1; SMN2
SCHEMBL12599658 0.87 MAOA (0.42) MAPTSMN1; SMN2
SCHEMBL12600344 0.85 PKM (0.48) CHRNA7KCNH2SMN1; SMN2
SCHEMBL2036361 0.85 MAOA (0.45) KIF11CHRNA7KCNH2
SCHEMBL12601012 0.83 PKM (0.50) CHRNA7MAPTSMN1; SMN2
SCHEMBL12600343 0.83 KIF11 (0.48) KIF11MAPTSMN1; SMN2
SCHEMBL14124563 0.83 MAOB (0.54) KCNH2MAPTSMN1; SMN2

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 1911/4885CHRNA7 79/4885KCNH2 244/4885
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders NR2C2, GRIN2C, CNR1 KIF11 3051/4885CHRNA7 8/4885KCNH2 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.