SCHEMBL7687072

SCHEMBL7687072

CC1(C)[N]C(=O)C(c2ccccc2)N1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
KDM1A O60341 4/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MAPK10 P53779 1/20 0.35

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
SCHEMBL11169467 0.77 LMNA (0.41) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL10332615 0.68 DDB1 (0.41) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL9735953 0.64 CHRNB2 (0.41) KMT2AUSP2LMNAADORA3KDM1A
SCHEMBL3961283 0.63 MAPT (0.55) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL11837569 0.63 MAPT (0.42) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL1895535 0.62 MAPT (0.48) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL936851 0.62 MAPT (0.46) ALDH1A1MAPTKDM4EGAAHPGD
Methane SCHEMBL11336749 0.62 MAPT (0.48) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL1894049 0.62 MAPT (0.48) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL15669931 0.62 MAPT (0.48) ALDH1A1MAPTKDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150984-B1 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1991-09-11 EP claimed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US claimed
US-4826833-A ANTIBIOTICS PFIZER INC. (US) 1989-05-02 US claimed
EP-0150984-A2 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1985-08-07 EP claimed
EP-0061313-B1 BIS-ESTERS OF 1,1-ALKANEDIOLS WITH 6-BETA-HYDROXYMETHYLPENICILLANIC ACID 1,1-DIOXIDE AND BETA-LACTAM ANTIBIOTICS PFIZER INC. (US) 1985-01-16 EP claimed
US-4342768-A Bis-esters of 1,1-alkanediols with 6-beta-hydroxymethylpenicillanic acid 1,1-dioxide and beta-lactam antibiotics PFIZER INC. (US) 1982-08-03 US claimed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US claimed
US-3989685-A FROM PENICILLIN-1-OXIDE SHINOGI & CO., LTD. (JA) 1976-11-02 US claimed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 US claimed
US-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists SMITHKLINE BEECHAM S.P.A. 2002-06-06 US disclosed
EP-1019377-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. Smithkline Beecham S.p.A. (IT) 2000-07-19 EP disclosed
WO-1997019926-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO disclosed
EP-0150984-B1 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1991-09-11 EP disclosed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 US disclosed
US-4079181-A INTERMEDIATES FOR 3-HYDROXY-3-CEPHEM COMPOUNDS SHIONOGI & CO., LTD. (JA) 1978-03-14 US disclosed
US-4053469-A BACTERICIDES SHIONOGI & CO., LTD. (JA) 1977-10-11 US disclosed
US-3989685-A FROM PENICILLIN-1-OXIDE SHINOGI & CO., LTD. (JA) 1976-11-02 US disclosed
US-3987039-A ANTIBACTERIAL SHIONOGI & CO., LTD. (JA) 1976-10-19 US disclosed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 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 (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-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists TAC3, TACR2, TACR1 ALDH1A1 2059/4885MAPT 4548/4885KDM4E 2406/4885

“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.