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SCHEMBL136990

SCHEMBL136990

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CN[C@@H](C)[C@H](O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.43
▸ LMNA P02545 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGDR Q13258 1/20 0.39

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
SCHEMBL137651 0.94 PTGDR2 (0.49) PTGDR2LMNAALDH1A1MAPK1HTT
SCHEMBL153941 0.88 PTGDR2 (0.59) PTGDR2CYP3A4CYP2C9TBXA2RPTGDR
SCHEMBL153939 0.88 PTGDR2 (0.59) PTGDR2CYP3A4CYP2C9TBXA2RPTGDR
SCHEMBL153940 0.88 PTGDR2 (0.59) PTGDR2CYP3A4CYP2C9TBXA2RPTGDR
SCHEMBL134810 0.83 PTGDR2 (0.41) PTGDR2JAK2JAK3CYP3A4CYP2C9
SCHEMBL135800 0.81 PTGDR2 (0.47) PTGDR2JAK2JAK3ALDH1A1MEN1
SCHEMBL134660 0.81 PTGDR2 (0.54) PTGDR2LMNAJAK2JAK3ALDH1A1
SCHEMBL152629 0.81 PTGDR2 (0.67) PTGDR2CYP3A4CYP2C9TBXA2RPTGDR
SCHEMBL152628 0.81 PTGDR2 (0.67) PTGDR2CYP3A4CYP2C9TBXA2RPTGDR
SCHEMBL152630 0.81 PTGDR2 (0.67) PTGDR2CYP3A4CYP2C9TBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 — — US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 — — US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 — — US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 — — US 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885LMNA 1875/4885JAK2 2034/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885LMNA 1875/4885JAK2 2034/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885LMNA 1875/4885JAK2 2034/4885

“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.