SCHEMBL10176644

SCHEMBL10176644

Cc1ccc2c(c1)nc1n2CCN(C(C)C2CCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 8/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR3A P46098 1/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
GSK3B P49841 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL10176643 0.91 TP53 (0.37) SMN1; SMN2TP53ALDH1A1KDM4EMAPT
SCHEMBL7890081 0.87 ACHE (0.40) TP53ALDH1A1KDM4EMAPTHPGD
SCHEMBL10176642 0.82 TP53 (0.39) SMN1; SMN2TP53ALDH1A1KDM4EMAPT
SCHEMBL7886301 0.81 NOS3 (0.37) TP53ALDH1A1KDM4EMAPTHPGD
SCHEMBL7886200 0.81 USP30 (0.37) TP53ALDH1A1KDM4EMAPTHPGD
SCHEMBL7888566 0.80 PTGS2 (0.36) TP53ALDH1A1KDM4EMAPTHPGD
SCHEMBL10176645 0.79 KDM4E (0.33) TP53ALDH1A1KDM4EMAPTHPGD
SCHEMBL8381311 0.78 MAPT (0.48) SMN1; SMN2TP53ALDH1A1KDM4EMAPT
SCHEMBL417461 0.75 HTR3A (0.38) MAPTMEN1KMT2AHTR3A
SCHEMBL3021566 0.75 SMN1; SMN2 (0.60) SMN1; SMN2TP53ALDH1A1KDM4EMAPT

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SMN1; SMN2 991/4885TP53 4740/4885ALDH1A1 2598/4885

“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.