SCHEMBL422764

SCHEMBL422764

CN1CCN(C(=O)c2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.38

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
SCHEMBL422655 0.91 ALDH1A1 (0.43) LMNACYP2C19ALDH1A1HPGDTSHR
SCHEMBL420166 0.90 ALDH1A1 (0.44) LMNACYP2C19ALDH1A1HPGD
SCHEMBL422480 0.88 KMT2A (0.43) KMT2AALDH1A1HPGDTSHR
SCHEMBL419248 0.85 TSHR (0.37) LMNAALDH1A1MAPTHPGDTSHR
SCHEMBL419958 0.82 TP53 (0.46) LMNACYP2C19ALDH1A1HPGD
SCHEMBL422485 0.82 KDM4E (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL420930 0.80 KMT2A (0.50) KMT2AALDH1A1HPGDTSHR
SCHEMBL3792855 0.78 TSHR (0.36) KMT2AALDH1A1MAPTTSHRPOLB
SCHEMBL422763 0.78 L3MBTL3 (0.50) LMNACYP2C19MEN1KMT2AALDH1A1
SCHEMBL422950 0.76 TP53 (0.45) LMNAMAPTPOLB

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 LMNA 4701/4885CYP2C19 3170/4885MEN1 1057/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 LMNA 4701/4885CYP2C19 3170/4885MEN1 1057/4885

“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.