SCHEMBL16914102

SCHEMBL16914102

CC1CCC2(CCN(C(=O)O)CC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.33
▸ ACHE P22303 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL20572226 0.81 CRBN (0.35) DDB1CRBN
SCHEMBL5897345 0.79 USP2 (0.30) —
SCHEMBL16914466 0.79 DDB1 (0.31) DDB1CRBN
SCHEMBL5895164 0.78 FAAH (0.31) —
SCHEMBL29715671 0.78 NAMPT (0.30) NAMPT
SCHEMBL16914367 0.78 KDM4E (0.45) DDB1CRBN
SCHEMBL5895182 0.76 CRBN (0.32) DDB1CRBN
SCHEMBL5895416 0.76 OPRM1 (0.33) —
SCHEMBL5896658 0.76 CYP1A2 (0.39) CRBN
SCHEMBL16914477 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-11-15 — — US disclosed
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 — — US disclosed
EP-3310771-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2018-04-25 — — EP disclosed
EP-3310774-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2018-04-25 — — EP disclosed
WO-2016203406-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 — — WO disclosed
WO-2016203405-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 — — WO disclosed
EP-3094628-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2016-11-23 — — EP disclosed
WO-2015107495-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2015-07-23 — — 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 (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-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof PTPN11, PPM1F, PTPRF NAMPT 388/4885ACHE 4697/4885DDB1 4155/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF NAMPT 388/4885ACHE 4697/4885DDB1 4155/4885

“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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