SCHEMBL16650924

SCHEMBL16650924

CC(C)CNC(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 1/20 0.56
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ABCC3 O15438 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ NR3C1 P04150 1/20 0.51
▸ RARG P13631 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ NR1H2 P55055 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ NR1H3 Q13133 1/20 0.51
▸ NR1I3 Q14994 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 2/20 0.50

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
SCHEMBL18171769 0.88 PPID (0.64) PPIDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8050669 0.84 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14064383 0.84 PPID (0.64) PPIDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19844612 0.81 CYP2D6 (0.61) PPIDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9293928 0.80 LMNA (0.59) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6924120 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23447175 0.80 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9749394 0.80 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23905447 0.79 CYP1A2 (0.60) PPIDCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL27396621 0.79 L3MBTL1 (0.54) PPIDCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057971-B1 1-(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS LILLY CO ELI (US) 2018-12-12 — — EP disclosed
EP-3063162-B1 GLUCOPYRANOSYL-SUBSTITUTED INDOLE-UREA DERIVATIVES AND THEIR USE AS SGLT INHIBITORS LILLY CO ELI (US) 2017-08-16 — — EP disclosed
EP-3063162-B1 GLUCOPYRANOSYL-SUBSTITUTED INDOLE-UREA DERIVATIVES AND THEIR USE AS SGLT INHIBITORS LILLY CO ELI (US) 2017-08-16 — — EP disclosed
EP-3063162-A1 GLUCOPYRANOSYL-SUBSTITUTED INDOLE-UREA DERIVATIVES AND THEIR USE AS SGLT INHIBITORS Eli Lilly and Company (US) 2016-09-07 — — EP disclosed
EP-3057971-A1 1 -(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS Eli Lilly and Company (US) 2016-08-24 — — EP disclosed
US-9145435-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 — — US disclosed
US-9145435-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 — — US disclosed
US-9145435-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 — — US disclosed
US-9145437-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 — — US disclosed
US-9145437-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 — — US disclosed
US-20150126469-A1 NOVEL UREA COMPOUNDS LILLY CO ELI (US) 2015-05-07 — — US disclosed
US-20150126469-A1 NOVEL UREA COMPOUNDS LILLY CO ELI (US) 2015-05-07 — — US disclosed
US-20150126469-A1 NOVEL UREA COMPOUNDS LILLY CO ELI (US) 2015-05-07 — — US disclosed
WO-2015065956-A1 GLUCOPYRANOSYL-SUBSTITUTED INDOLE-UREA DERIVATIVES AND THEIR USE AS SGLT INHIBITORS ELI LILLY AND COMPANY (US) 2015-05-07 — — WO disclosed
US-20150111846-A1 NOVEL UREA COMPOUNDS ELI LILLY AND COMPANY 2015-04-23 — — US disclosed
US-20150111846-A1 NOVEL UREA COMPOUNDS ELI LILLY AND COMPANY 2015-04-23 — — US disclosed
US-20150111846-A1 NOVEL UREA COMPOUNDS ELI LILLY AND COMPANY 2015-04-23 — — US disclosed
WO-2015057953-A1 1 -(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2015-04-23 — — WO disclosed
WO-2015057953-A1 1 -(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2015-04-23 — — WO disclosed
CN-103539703-A Synthesis method of 2-(3-isobutyl ureido) acetate WUXI APPTEC TIANJIN CO LTD 2014-01-29 — — CN 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-20150111846-A1 NOVEL UREA COMPOUNDS SLC14A1, SLC10A1, UTS2R PPID 3529/4885CYP1A2 1930/4885CYP3A4 1013/4885
US-20150126469-A1 NOVEL UREA COMPOUNDS SLC14A1, SLC10A1, UTS2R PPID 3529/4885CYP1A2 1930/4885CYP3A4 1013/4885

“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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