SCHEMBL3391269

SCHEMBL3391269

CCNCc1cc(C)cnc1-c1cc(CC(=O)OCC)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
DRD2 P14416 1/20 0.37
POLB P06746 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL3390395 0.86 DRD2 (0.38) DPP4JAK2JAK3JAK1TYK2
SCHEMBL3387106 0.86 PTGDR2 (0.37) DPP4JAK2JAK3JAK1TYK2
SCHEMBL135903 0.83 PTGDR2 (0.46) POLBHTR1AHTR1DHTR1BHTR2A
SCHEMBL3390068 0.82 PKM (0.40) JAK2JAK3JAK1TYK2POLB
SCHEMBL136363 0.81 ABL1 (0.43) DRD2POLBHTR1AHTR1DHTR1B
SCHEMBL9982543 0.79 PTGDR2 (0.56) JAK2JAK3PTGDR2ALDH1A1
SCHEMBL138884 0.78 PTGDR2 (0.49) POLBHTR1AHTR1DHTR1BHTR2A
SCHEMBL3387103 0.78 PTGDR2 (0.56) PTGDR2RECQLALDH1A1
SCHEMBL3390392 0.78 PTGDR2 (0.44) DRD2PTGDR2
SCHEMBL3390791 0.77 APP (0.48) PTGDR2

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-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
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
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 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
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 DPP4 2071/4885JAK2 983/4885JAK3 2529/4885

“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.