SCHEMBL418051

SCHEMBL418051

O=Cc1ccc2c(c1)nc1n2CCN(C2=CC=C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 7/20 0.33
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
CYP2A6 P11509 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL417927 0.91 MAPK1 (0.31) RAB9AMAPK1CYP2A6ALDH1A3
SCHEMBL422950 0.81 TP53 (0.45) RAB9AMAPK1TP53MAPTLMNA
SCHEMBL417644 0.79 GRM2 (0.38) RAB9AMAPK1MEN1KMT2ATP53
SCHEMBL420833 0.79 MEN1 (0.38) RAB9AMAPK1MEN1KMT2ATP53
SCHEMBL419958 0.77 TP53 (0.46) TP53LMNAALDH1A1SMN1; SMN2
SCHEMBL419623 0.76 MEN1 (0.36) RAB9AMAPK1MEN1KMT2ATP53
SCHEMBL420667 0.75 MEN1 (0.36) RAB9AMAPK1MEN1KMT2ATP53
SCHEMBL418050 0.75 MAPT (0.49) RAB9AMAPK1MEN1KMT2ATP53
SCHEMBL420247 0.74 HRH1 (0.40) RAB9AMAPK1MEN1KMT2ATP53
SCHEMBL420930 0.74 KMT2A (0.50) RAB9AKMT2ATP53ALDH1A1

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 RAB9A 744/4885MAPK1 2375/4885MEN1 1057/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 RAB9A 744/4885MAPK1 2375/4885MEN1 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.