SCHEMBL10176797

SCHEMBL10176797

Cc1ccc(COc2ccc3c(c2)nc2n3CCN(C3CCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
CYP2D6 P10635 3/20 0.47
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 3/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MCHR1 Q99705 2/20 0.39
GRM2 Q14416 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL10176621 0.92 HRH3 (0.47) HRH3CYP2D6NPC1RAB9AMCHR1
SCHEMBL421681 0.88 HRH3 (0.45) HRH3CYP2D6GRM2GPR84MAOA
SCHEMBL10176826 0.85 HRH3 (0.40) HRH3CYP2D6ALDH1A1MAPTSMN1; SMN2
SCHEMBL8381311 0.83 MAPT (0.48) CYP2D6ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13260044 0.82 MAPT (0.45) HRH3CYP2D6ALDH1A1MAPTSMN1; SMN2
SCHEMBL10176796 0.82 HRH3 (0.47) HRH3
SCHEMBL7889358 0.81 MAPT (0.45) CYP2D6ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10176823 0.81 MAPT (0.49) CYP2D6ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10176806 0.80 NPC1 (0.51) CYP2D6ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL417386 0.80 HRH3 (0.45) HRH3CYP2D6GPR84MAOAMAOB

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 HRH3 1/4885CYP2D6 3319/4885ALDH1A1 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.