SCHEMBL3386579

SCHEMBL3386579

Cc1cnc(Cl)c(CCCN)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HRH1 P35367 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HRH3 Q9Y5N1 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
HASPIN Q8TF76 1/20 0.30
DYRK2 Q92630 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CYP2A6 P11509 1/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL27371741 0.84 CTRC (0.39) NOS3NOS1NOS2HRH3CCR1
SCHEMBL3387108 0.76 PLAU (0.41) NOS3NOS1NOS2
SCHEMBL6953184 0.75 NPSR1 (0.46) NOS3NOS1NOS2CCR1CCR5
SCHEMBL22564851 0.75 NOS3 (0.39) NOS3NOS1NOS2CCR1CCR5
SCHEMBL23500551 0.73 CCR1 (0.34) NOS3NOS1NOS2CCR1CCR5
SCHEMBL4920949 0.73 PDXK (0.46) NOS3NOS1NOS2CCR1CCR5
SCHEMBL31395900 0.73 PDXK (0.46) NOS3NOS1NOS2CCR1CCR5
SCHEMBL30060571 0.72 LMNA (0.42) NOS3NOS1NOS2CCR1CCR5
SCHEMBL23534461 0.72 LMNA (0.42) NOS3NOS1NOS2CCR1CCR5
SCHEMBL10921138 0.70 CXCR4 (0.36) HRH4HRH1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 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-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HRH4 299/4885TAAR1 861/4885HRH1 322/4885

“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.