SCHEMBL22619239

SCHEMBL22619239

CC(C)(C)OC(=O)N1CC=C(c2ccc3[nH]c(=O)[nH]c3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK4 Q16654 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK13 Q14004 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38

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
SCHEMBL16270625 0.89 NAMPT (0.53) PDK4CNR1NAMPTCDK7CDK13
SCHEMBL24607774 0.84 PGR (0.42) PDK4CNR1NAMPTTBK1CDK7
SCHEMBL29751413 0.84 PGR (0.42) PDK4CNR1NAMPTTBK1CDK7
SCHEMBL22928167 0.80 NAMPT (0.41) PDK4CNR1NAMPTTBK1CDK7
SCHEMBL22619097 0.79 RIPK2 (0.42) PDK4NAMPTTBK1GABRPGABRD
SCHEMBL22619202 0.79 PIK3CD (0.43) PDK4NAMPTTBK1CDK7CDK13
SCHEMBL22608963 0.79 NAMPT (0.43) PDK4CNR1NAMPTTBK1CDK7
SCHEMBL21767846 0.79 NAMPT (0.52) PDK4NAMPTGRM1GRM5ESR2
SCHEMBL25245031 0.78 KDM4E (0.49) PDK4CNR1NAMPTTBK1CDK9
SCHEMBL30484064 0.77 TBK1 (0.41) PDK4CNR1NAMPTTBK1CDK7

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-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

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 PDK4 1190/4885CNR1 250/4885NAMPT 3605/4885

“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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