SCHEMBL1991670

SCHEMBL1991670

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
KCNH2 Q12809 1/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
EPHX2 P34913 3/20 0.45
DRD2 P14416 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
IDO1 P14902 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
GPR119 Q8TDV5 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
SCHEMBL14124585 0.91 GRIN2D (0.48) ALOX5MAPTEPHX2PKMLMNA
SCHEMBL2028099 0.91 KCNH2 (0.48) KCNH2MAPTMAOAMAOBPKM
SCHEMBL14124574 0.90 ALOX5 (0.50) ALOX5KCNH2TP53MAPTEPHX2
SCHEMBL14124560 0.90 MAPT (0.42) TP53MAPTMAOAMAOBEPHX2
SCHEMBL1994148 0.89 KIF11 (0.48) KCNH2MAPTEPHX2SMN1; SMN2PDE3B
SCHEMBL15746493 0.88 SMN1; SMN2 (0.48) TP53MAPTPKMLMNAGAA
SCHEMBL1993038 0.84 KCNH2 (0.49) KCNH2MAOAMAOBDRD2LMNA
SCHEMBL14124561 0.83 SMN1; SMN2 (0.43) MAPTEPHX2LMNAGAASMN1; SMN2
SCHEMBL1990653 0.83 MAOB (0.49) KCNH2MAOAMAOBDRD2PDE3B
SCHEMBL12600344 0.82 PKM (0.48) KCNH2MAOAMAOBDRD2PKM

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 ALOX5 853/4885KCNH2 244/4885TP53 4598/4885
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders NR2C2, GRIN2C, CNR1 ALOX5 2789/4885KCNH2 144/4885TP53 3355/4885

“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.