SCHEMBL6896494

SCHEMBL6896494

O=Cc1ccc2c(c1)nc1n2CC2CCC(C1)N2C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 5/20 0.33
DPP4 P27487 7/20 0.32
DPP7 Q9UHL4 4/20 0.32
CYP2D6 P10635 3/20 0.32
KCNH2 Q12809 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP9 Q86TI2 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL6895409 0.82 CYP11B2 (0.38) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10298614 0.82 PRKACA (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10012435 0.80 MEN1 (0.33) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6896281 0.80 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6896127 0.80 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6896561 0.80 CYP11B2 (0.42) ALDH1A1KDM4EKCNH2GAA
SCHEMBL10298604 0.79 USP30 (0.35) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10298618 0.79 USP30 (0.35) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10298602 0.79 USP30 (0.35) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6896434 0.79 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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
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-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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 951/4885SMN1; SMN2 1591/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ALDH1A1 2544/4885MAPT 951/4885SMN1; SMN2 1591/4885

“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.