Sugi Predict

Sugi Predict / Compounds / SCHEMBL2876503

SCHEMBL2876503

SCHEMBL2876503

COC(=O)c1cccc(N2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 3/20 0.59
▸ KAT6A Q92794 1/20 0.54
▸ HTR7 P34969 5/20 0.54
▸ HTR1A P08908 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ HTR2C P28335 2/20 0.54
▸ HTR3E A5X5Y0 1/20 0.54
▸ HTR3B O95264 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ HTR3A P46098 1/20 0.54
▸ HTR6 P50406 1/20 0.54

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
SCHEMBL8706220 0.87 KAT6A (0.52) ADRB1KAT6AHTR7HTR1ATP53
SCHEMBL5743752 0.86 ALDH1A1 (0.66) HTR7TP53CYP1A2CYP2D6CYP2C19
SCHEMBL20049262 0.85 TP53 (0.54) TP53CYP1A2CYP2D6CYP2C19GAA
SCHEMBL4203044 0.85 ALDH1A1 (0.64) HTR7TP53CYP1A2CYP2D6CYP2C19
SCHEMBL2306348 0.85 ALOX5 (0.58) ADRB1KAT6AHTR7HTR1ATP53
SCHEMBL4538767 0.85 ADRB1 (0.51) ADRB1KAT6AHTR7HTR1ATP53
SCHEMBL1490676 0.84 PLOD2 (0.60) HTR7TP53HTR2CHTR6GAA
SCHEMBL3453744 0.83 ADRB1 (0.58) ADRB1KAT6AHTR7HTR1ATP53
Hydrochloric Acid SCHEMBL31490556 0.83 ADRB1 (0.51) ADRB1HTR1AHTR3EHTR3BHTR3A
SCHEMBL28641840 0.82 TLR2 (0.52) ADRB1KAT6AHTR7HTR1ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-11795174-B2 Anti-pain compound and preparation method thereof LUNAN PHARMACEUTICAL GROUP CORPORATION (CN) 2023-10-24 — — US disclosed
US-11795174-B2 Anti-pain compound and preparation method thereof LUNAN PHARMACEUTICAL GROUP CORPORATION (CN) 2023-10-24 — — US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 — — CN disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 — — US disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 — — US disclosed
EP-1984331-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-10-29 — — EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 — — EP disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 — — US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 — — US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 — — US disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 — — WO disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 — — WO disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 — — US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 — — EP disclosed
US-5523302-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-04 — — 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 (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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B ADRB1 51/4885KAT6A 4423/4885HTR7 48/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ADRB1 3697/4885KAT6A 1033/4885HTR7 2327/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ADRB1 3697/4885KAT6A 1033/4885HTR7 2327/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 ADRB1 2114/4885KAT6A 781/4885HTR7 4142/4885
US-11795174-B2 Anti-pain compound and preparation method thereof OPRK1, OPRM1, OPRL1 ADRB1 62/4885KAT6A 631/4885HTR7 493/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ADRB1 3697/4885KAT6A 1033/4885HTR7 2327/4885

“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.