SCHEMBL422575

SCHEMBL422575

Clc1ccc2nc3n(c2c1)CCNCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.48
HTR2C P28335 6/20 0.48
HTR3A P46098 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SOS1 Q07889 3/20 0.43
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
S1PR2 O95136 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
HTR2B P41595 1/20 0.40
ACHE P22303 1/20 0.40
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7880030 0.88 HTR2A (0.48) HTR2AHTR2CHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL11386455 0.87 HTR2A (0.47) HTR2AHTR2CHTR3AHTR3EHTR3B
SCHEMBL31164767 0.87 HTR2A (0.56) HTR2AHTR2CHTR3AHTR3EHTR3B
SCHEMBL422637 0.82 HTT (0.42) HTR2AHTR2CSOS1KDM4EKMT2A
SCHEMBL11427510 0.78 HTR2C (0.51) HTR2AHTR2CHTR3AHTR3EHTR3B
SCHEMBL420030 0.76 HRH3 (0.42) HTR2AHTR2CHTR2B
SCHEMBL31164710 0.75 HTR2A (0.56) HTR2AHTR2CHTR3AHTR3EHTR3B
SCHEMBL419918 0.73 PIK3CA (0.42) HTR2AHTR2CKMT2ANCF1
SCHEMBL13259153 0.73 MEN1 (0.42) HTR2AHTR2CLMNAKMT2A
SCHEMBL12476746 0.72 KDM4E (0.40) HTR2AHTR2CKDM4EKMT2ANCF1

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 6 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-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 HTR2A 88/4885HTR2C 123/4885HTR3A 49/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTR2A 88/4885HTR2C 123/4885HTR3A 49/4885

“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.