SCHEMBL4558736

SCHEMBL4558736

NC(=O)C(Cc1ccc2c(c1)COO2)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.39
▸ DPP4 P27487 1/20 0.35
▸ SLC6A2 P23975 4/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ OPRD1 P41143 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ MC3R P41968 1/20 0.32
▸ MC1R Q01726 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PLAU P00749 2/20 0.31
▸ PLAUR Q03405 2/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL4558735 0.80 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL7133381 0.75 TAAR1 (0.36) SLC6A4SLC6A2SLC6A3GSK3B
SCHEMBL11251072 0.73 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3OPRD1LMNA
SCHEMBL4557726 0.70 PPID (0.40) LMNAGSK3B
SCHEMBL11697763 0.68 CAPN1 (0.38) LMNAGSK3B
SCHEMBL11696742 0.68 TAAR1 (0.55) SLC6A4SLC6A2SLC6A3
SCHEMBL11695006 0.67 GABRA1 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL4558733 0.67 HPGD (0.34) GSK3B
SCHEMBL3047306 0.65 TAAR1 (0.34) GSK3B
SCHEMBL11693436 0.65 GSK3B (0.38) LMNAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 — — US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 — — 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 (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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 SLC6A4 260/4885DPP4 2678/4885SLC6A2 153/4885

“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.

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