SCHEMBL6895992

SCHEMBL6895992

c1ccc2c(c1)CCN(Cc1ccc3c(c1)nc1n3CCN3CCCC[C@@H]3C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 3/20 0.40
USP2 O75604 2/20 0.40
GAA P10253 1/20 0.39
ACHE P22303 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MCL1 Q07820 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NOS1 P29475 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
SCHEMBL6895224 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL6895222 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL6895526 0.97 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL6896130 0.97 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL6895387 0.94 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL421588 0.89 MAPT (0.42) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL420306 0.87 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL6896143 0.81 HRH3 (0.43) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6895885 0.81 HRH3 (0.43) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6895812 0.81 HRH3 (0.43) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 ALDH1A1 2544/4885MAPT 951/4885KDM4E 1965/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ALDH1A1 2544/4885MAPT 951/4885KDM4E 1965/4885

“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.