SCHEMBL25251239

SCHEMBL25251239

CC(C)(C)OC(=O)N1CC(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.52
▸ STS P08842 1/20 0.46
▸ ALDH2 P05091 1/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL29497188 1.00 GRM5 (0.52) GRM5STSALDH2CYP3A4TP53
SCHEMBL22530217 0.81 STS (0.46) STSALDH2MAPTPOLBGPR119
SCHEMBL25260635 0.81 NOTUM (0.42) GRM5CYP3A4MEN1KMT2A
SCHEMBL21722989 0.78 STS (0.43) STSALDH2MAPTPOLBGPR119
SCHEMBL14088779 0.78 GRM5 (0.47) GRM5STSTP53MAPTRXFP1
SCHEMBL23883197 0.77 GRM5 (0.51) GRM5STSCYP3A4MAPTPOLB
SCHEMBL5119545 0.77 GRM5 (0.52) GRM5STSCYP3A4USP30MEN1
SCHEMBL23777806 0.77 STS (0.48) STSTP53MAPTPOLBRXFP1
SCHEMBL20757065 0.76 TP53 (0.52) STSTP53MAPTPOLBRXFP1
SCHEMBL5710832 0.76 GRM5 (0.52) GRM5STSCYP3A4TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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 (2 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY GRM5 3679/4885STS 1021/4885ALDH2 2918/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY GRM5 3679/4885STS 1021/4885ALDH2 2918/4885

“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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