SCHEMBL6496941

SCHEMBL6496941

COc1ccc(CN2C[C@H](C)OCC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 8/20 0.62
▸ GAA P10253 1/20 0.47
▸ CMA1 P23946 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL6498337 1.00 GRM2 (0.62) GRM2GAACMA1MMP1MMP13
SCHEMBL15399271 0.84 GRM2 (0.53) GRM2GAACMA1MMP1MMP13
SCHEMBL16509683 0.84 GRM2 (0.50) GRM2GAACMA1MMP1MMP13
SCHEMBL13830557 0.82 GRM2 (0.54) GRM2L3MBTL1ALDH1A1KMT2A
SCHEMBL12164226 0.82 GRM2 (0.54) GRM2L3MBTL1ALDH1A1KMT2A
SCHEMBL31581616 0.82 SIRT2 (0.52) GRM2GAAMMP1MMP13L3MBTL1
SCHEMBL31564712 0.82 SIRT2 (0.52) GRM2GAACMA1MMP1MMP13
SCHEMBL31564563 0.82 SIRT2 (0.52) GRM2GAAMMP1MMP13L3MBTL1
SCHEMBL537338 0.81 GRM2 (0.53) GRM2GAACMA1MMP1MMP13
SCHEMBL31564723 0.81 GRM2 (0.47) GRM2GAACMA1MMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 — — US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — WO disclosed
US-6958402-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER, INC. (US) 2005-10-25 — — US disclosed
CN-1620291-A 3-(imidazolyl)-2-alkoxypropanoic acids as TAFIA inhibitors PFIZER (US) 2005-05-25 — — CN disclosed
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC. (US) 2004-12-16 — — US disclosed
EP-1467731-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS Pfizer Limited (GB) 2004-10-20 — — EP disclosed
US-6713496-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC 2004-03-30 — — US disclosed
US-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids PFIZER INC. 2003-10-23 — — US disclosed
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 — — WO disclosed
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 — — 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 (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-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 GRM2 3210/4885GAA 4272/4885CMA1 1500/4885
US-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 GRM2 4036/4885GAA 733/4885CMA1 1015/4885
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 GRM2 3449/4885GAA 4279/4885CMA1 1445/4885

“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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