SCHEMBL4937985

SCHEMBL4937985

C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)O)CCN1C(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.84
ENPP2 Q13822 1/20 0.48
CCR1 P32246 5/20 0.48
FPR3 P25089 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL4942606 0.92 PTGDR2 (1.00) PTGDR2ENPP2CCR1
SCHEMBL4942675 0.90 PTGDR2 (0.89) PTGDR2ENPP2CCR1FPR3GPR65
SCHEMBL4607656 0.89 PTGDR2 (0.90) PTGDR2ENPP2CCR1
SCHEMBL4944170 0.87 PTGDR2 (0.84) PTGDR2ENPP2CCR1FPR3GPR65
SCHEMBL1714418 0.87 PTGDR2 (0.85) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL4609884 0.86 PTGDR2 (0.85) PTGDR2ENPP2CCR1
SCHEMBL1714203 0.84 PTGDR2 (0.86) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL1714483 0.82 PTGDR2 (0.86) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL4609428 0.81 PTGDR2 (0.74) PTGDR2ENPP2CCR1FPR3GPR65
SCHEMBL4941310 0.80 PTGDR2 (1.00) PTGDR2ENPP2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US claimed
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US disclosed
WO-2007052023-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-05-10 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-20080255150-A1 Novel Compounds CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 PTGDR2 620/4885ENPP2 159/4885CCR1 535/4885

“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.