SCHEMBL3072064

SCHEMBL3072064

CCS(=O)(=O)c1ccc(-c2ccc(C3CCNCC3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
IDO1 P14902 1/20 0.40
NOTUM Q6P988 2/20 0.39
KCNH2 Q12809 1/20 0.38
JAK2 O60674 1/20 0.38
APLNR P35414 1/20 0.37
PLAT P00750 1/20 0.37
IKBKB O14920 2/20 0.35
MAPK8 P45983 1/20 0.35
FAAH O00519 1/20 0.35
MLNR O43193 2/20 0.35
CYP2D6 P10635 1/20 0.35
HTR6 P50406 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL3063437 0.80 PTGS1 (0.39) SYKPTGS1PTGS2IDO1KCNH2
SCHEMBL3068872 0.79 KDM2B (0.42) PTGS1PTGS2IDO1APLNR
SCHEMBL171578 0.77 HPGDS (0.50) NOTUMKCNH2
SCHEMBL27786329 0.76 MMP1 (0.35) SYKKCNH2JAK2IKBKBMAPK8
SCHEMBL13592675 0.76 EP300 (0.43) SYKIDO1NOTUM
SCHEMBL10080115 0.76 KDM1A (0.43) SYKNOTUMPLAT
SCHEMBL171323 0.76 IKBKB (0.48) SYKPTGS1PTGS2NOTUMKCNH2
SCHEMBL22324769 0.75 SLC18A3 (0.48) HTR6RORC
SCHEMBL14544118 0.75 NOTUM (0.42) SYKIDO1NOTUM
Hydrochloric Acid SCHEMBL27808140 0.75 MMP1 (0.35) SYKKCNH2JAK2IKBKBMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
EP-2014656-A2 New heteocyclic h3 antagonists TRANSTECH PHARMA (US) 2009-01-14 EP disclosed
EP-2014656-A2 New heteocyclic h3 antagonists TRANSTECH PHARMA (US) 2009-01-14 EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 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 (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-20100267721-A1 Heterocyclic H3 Antagonists HRH3, HRH4, HRH2 SYK 3953/4885PTGS1 1672/4885PTGS2 1909/4885

“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.