SCHEMBL418587

SCHEMBL418587

CC(C)(C)OC(=O)NCCc1nc2cc(Cl)ccc2n1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TBXA2R P21731 2/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL11388072 0.92 BRD4 (0.51) GNRHRKMT2ASMN1; SMN2TP53POLB
SCHEMBL13259041 0.89 GNRHR (0.49) GNRHRSMN1; SMN2TP53POLBBRD4
SCHEMBL421355 0.88 GNRHR (0.48) GNRHRSMN1; SMN2TP53POLBBRD4
SCHEMBL422853 0.82 GNRHR (0.50) GNRHRSMN1; SMN2TP53POLBBRD4
SCHEMBL13259056 0.82 ALDH1A1 (0.43) GNRHRSMN1; SMN2TP53POLBBRD4
SCHEMBL418842 0.82 ALDH1A1 (0.43) GNRHRSMN1; SMN2TP53POLBBRD4
SCHEMBL10176988 0.80 GNRHR (0.48) GNRHRSMN1; SMN2TP53POLBBRD4
SCHEMBL16447471 0.78 MAPT (0.49) SMN1; SMN2TP53POLBBRD4ALDH1A1
SCHEMBL9968760 0.77 L3MBTL1 (0.41) GNRHRKMT2ASMN1; SMN2POLBLMNA
SCHEMBL1542762 0.76 BRD4 (0.53) GNRHRKMT2APOLBBRD4ALDH1A1

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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 GNRHR 516/4885KMT2A 453/4885SMN1; SMN2 991/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 GNRHR 516/4885KMT2A 453/4885SMN1; SMN2 991/4885

“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.