SCHEMBL22608963

SCHEMBL22608963

CC(C)(C)OC(=O)N1CC=C(c2ccc(Cl)c(O)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ PDK4 Q16654 1/20 0.42
▸ QDPR P09417 2/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GRM1 Q13255 5/20 0.38
▸ GRM5 P41594 4/20 0.38
▸ TBK1 Q9UHD2 1/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ CDK7 P50613 1/20 0.36
▸ CDK13 Q14004 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL22619090 0.85 NAMPT (0.43) NAMPTESR2PDK4QDPRGRM1
SCHEMBL21767846 0.80 NAMPT (0.52) NAMPTESR2PDK4KMT2AGRM1
SCHEMBL22619074 0.80 PDK4 (0.48) NAMPTESR2PDK4GRM1GRM5
SCHEMBL30545737 0.80 GRM5 (0.43) NAMPTESR2PDK4CNR1GRM1
SCHEMBL26074128 0.80 GRM5 (0.43) NAMPTESR2PDK4CNR1GRM1
SCHEMBL22619239 0.79 PDK4 (0.43) NAMPTESR2PDK4CNR1GRM1
SCHEMBL15536325 0.79 PDK4 (0.41) NAMPTESR2PDK4CNR1MEN1
SCHEMBL19459003 0.78 NAMPT (0.50) NAMPTESR2PDK4GRM1GRM5
SCHEMBL17002448 0.78 NR1H2 (0.52) NAMPTESR2PDK4GRM1GRM5
SCHEMBL3706064 0.78 GRM1 (0.55) NAMPTPDK4GRM1GRM5

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
CN-109956931-B Tetrahydropyrrole compound, preparation method thereof, pharmaceutical composition and application thereof 迈第康(上海)生物医药科技有限公司 2021-07-16 — — CN disclosed
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 — — US disclosed
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 — — US disclosed
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 — — EP disclosed
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 — — EP 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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 NAMPT 3605/4885ESR2 2082/4885PDK4 1190/4885

“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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