SCHEMBL1002469

SCHEMBL1002469

O=C1CCCN1C(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.64
THRB P10828 1/20 0.64
RECQL P46063 1/20 0.64
BLM P54132 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.56
MITF O75030 1/20 0.56
ALDH1A1 P00352 7/20 0.54
HPGD P15428 3/20 0.53
RAB9A P51151 1/20 0.49
CYP3A4 P08684 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
AVPR2 P30518 1/20 0.48

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
Water SCHEMBL27387795 0.98 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL6960124 0.95 SMN1; SMN2 (0.63) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL8380683 0.93 SMN1; SMN2 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL151854 0.93 SMN1; SMN2 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL8379316 0.93 SMN1; SMN2 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL8380782 0.93 SMN1; SMN2 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL9874977 0.93 SMN1; SMN2 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL5182886 0.90 KMT2A (0.75) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL27979508 0.90 MEN1 (0.61) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL7338840 0.89 ALDH1A1 (0.61) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E

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 695 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101544579-B Use and preparation method of 4-(-2-acetoxybenzoyl)aminobutyric acid and ester derivative thereof UNIV LANZHOU 2013-05-22 CN claimed
CN-101544579-A Use and preparation method of 4-(-2-acetoxybenzoyl)aminobutyric acid and ester derivative thereof UNIV LANZHOU 2009-09-30 CN claimed
US-20240190837-A1 CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS SYCHRONICITY PHARMA INC (US) 2024-06-13 US disclosed
US-20230098847-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-03-30 US disclosed
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20220411399-A1 CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS SYCHRONICITY PHARMA INC (US) 2022-12-29 US disclosed
US-20220411399-A1 CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS SYCHRONICITY PHARMA INC (US) 2022-12-29 US disclosed
US-11390585-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-07-19 US disclosed
US-11333974-B2 Onium salt, chemically amplified resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-17 US disclosed
CN-110003172-B Carbazole-containing amides, carbamates, and ureas as cryptochrome modulators 同步制药公司 2022-04-01 CN disclosed
WO-2022039199-A1 POLY[IMINO(1-OXO-1,4-BUTANEDIYL)] COPOLYMER, RESIN COMPOSITION OF SAID COPOLYMER, AND RESIN MOLDED BODY 株式会社クラレ 2022-02-24 WO disclosed
EP-0296979-B1 1-BENZOYL-2-OXO-5-ALKOXY-PYRROLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PREPARATIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-12-04 EP disclosed
EP-0317588-B1 ISOXAZOLES WITH NOOTROPIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 1991-08-07 EP disclosed
US-4985428-A Isoxazoles with nootropic activity ZAMBON GROUP S.P.A. (IT) 1991-01-15 US disclosed
EP-0317588-A1 ISOXAZOLES WITH NOOTROPIC ACTIVITY. ZAMBON SPA (IT) 1989-05-31 EP disclosed
WO-1988009330-A1 ISOXAZOLES WITH NOOTROPIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 1988-12-01 WO disclosed
US-4710573-A PSYCHOLOGICAL DISORDERS HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1987-12-01 US disclosed
EP-0110575-A1 1-Aroyl-5-oxo-2-pyrrolidinepropanoic acids and related esters WARNER-LAMBERT COMPANY (US) 1984-06-13 EP disclosed
EP-0005143-B1 1-BENZOYL-2-PYRROLIDINONE DERIVATIVE, PROCESSES FOR ITS PREPARATION AND MEDICAMENTS CONTAINING IT F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-07-14 EP disclosed
EP-0005143-A1 1-Benzoyl-2-pyrrolidinone derivative, processes for its preparation and medicaments containing it F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 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 (6 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-11333974-B2 Onium salt, chemically amplified resist composition, and patterning process ARF5, EIF2B3, KAT5 CYP1A2 3975/4885CYP2D6 3744/4885CYP2C9 3373/4885
US-20220411399-A1 CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS CRY1, CRY2, HCCS CYP1A2 227/4885CYP2D6 664/4885CYP2C9 242/4885
US-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP CYP1A2 256/4885CYP2D6 80/4885CYP2C9 164/4885
US-11390585-B2 Quaternary heteroatom containing compounds SDHA, NQO1, SDHB CYP1A2 26/4885CYP2D6 19/4885CYP2C9 103/4885
US-20240190837-A1 CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS CRY1, CRY2, HCCS CYP1A2 227/4885CYP2D6 664/4885CYP2C9 242/4885
US-20230098847-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB CYP1A2 26/4885CYP2D6 19/4885CYP2C9 103/4885

“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.