SCHEMBL419964

SCHEMBL419964

CN1CCN(c2cncc(Br)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.47
HRH4 Q9H3N8 7/20 0.47
HTR3E A5X5Y0 4/20 0.43
HTR3B O95264 4/20 0.43
HTR3D Q70Z44 4/20 0.43
HTR3C Q8WXA8 4/20 0.43
HRH3 Q9Y5N1 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL418886 0.82 HTR2A (0.42) HRH4KDM4EALDH1A1CYP1A2
SCHEMBL25027553 0.82 HTR2A (0.42) HRH4KDM4EALDH1A1CYP1A2
SCHEMBL17525869 0.81 HTR3A (0.59) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL2401439 0.79 HTR3A (0.58) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL19582126 0.78 HTR3A (0.47) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL3056725 0.78 KDM4E (0.64) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL5524143 0.78 ALDH1A1 (0.44) KDM4EALDH1A1CYP1A2
SCHEMBL2640550 0.78 HRH4 (0.54) HTR3AHRH4HRH3
Hydrochloric Acid SCHEMBL11557145 0.76 KDM4E (0.62) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL13771998 0.76 HRH4 (0.46) HTR3AHRH4HTR3EHTR3BHTR3D

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 7 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
CN-102388043-A Histamine h3 inverse agonists and antagonists and methods of use thereof SEPRACOR INC 2012-03-21 CN disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP 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

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 HTR3A 49/4885HRH4 2/4885HTR3E 67/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTR3A 49/4885HRH4 2/4885HTR3E 67/4885

“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.