Sugi Predict

Sugi Predict / Compounds / SCHEMBL5015647

SCHEMBL5015647

SCHEMBL5015647

O=C(O)N1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.65
▸ MAPT P10636 6/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.54
▸ GAA P10253 1/20 0.52
▸ LMNA P02545 4/20 0.50
▸ TSHR P16473 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ USP2 O75604 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ EIF4H Q15056 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ CASP6 P55212 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46

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
SCHEMBL22805291 0.93 AKR1C3 (0.58) AKR1C3MAPTALDH1A1NPSR1GAA
SCHEMBL5184503 0.84 KMT2A (0.75) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3933775 0.83 GFER (0.69) AKR1C3MAPTALDH1A1GAALMNA
SCHEMBL3466014 0.82 TDP1 (0.64) MAPTALDH1A1NPSR1GAALMNA
SCHEMBL631962 0.82 ALDH1A1 (0.69) AKR1C3MAPTALDH1A1NPSR1LMNA
SCHEMBL27945382 0.81 AKR1C3 (0.57) AKR1C3MAPTALDH1A1GAALMNA
SCHEMBL31252540 0.81 AKR1C3 (0.57) AKR1C3MAPTALDH1A1GAALMNA
SCHEMBL20639897 0.81 KDM4E (0.61) AKR1C3MAPTALDH1A1NPSR1GAA
SCHEMBL2555420 0.81 AKR1C3 (0.65) AKR1C3MAPTALDH1A1NPSR1GAA
SCHEMBL630856 0.81 AKR1C3 (0.65) AKR1C3MAPTALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121721-A1 MONOACYLGLYCEROL LIPASE INHIBITORS STICHTING HET NEDERLANDS KANKER INST ANTONI VAN LEEUWENHOEK ZIEKENHUIS (NL) 2023-04-20 — — US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 — — US disclosed
EP-3875452-A1 MONOACYLGLYCEROL LIPASE INHIBITORS Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) 2021-09-08 — — EP disclosed
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION NYSNOBIO IRELAND DAC (IE) 2021-08-12 — — US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 — — US disclosed
EP-2712863-B1 Novel inhibitors of bacterial biofilms and related methods SEQUOIA SCIENCES INC (US) 2014-10-22 — — EP disclosed
US-20130274256-A1 NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS SEQUOIA SCIENCES, INC. (US) 2013-10-17 — — US disclosed
US-8324264-B1 Inhibitors of bacterial biofilms and related methods SEQUOIA SCIENCES, INC. (US) 2012-12-04 — — US disclosed
EP-1984331-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-10-29 — — EP disclosed
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 — — EP disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 — — WO disclosed
EP-1701946-A2 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2006-09-20 — — EP disclosed
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 — — US disclosed
WO-2005070910-A2 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-AVENTIS (FR) 2005-08-04 — — WO disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 — — EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 — — 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 (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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 AKR1C3 514/4885MAPT 1629/4885ALDH1A1 3841/4885
US-20230121721-A1 MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPA AKR1C3 1792/4885MAPT 2459/4885ALDH1A1 932/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 AKR1C3 1362/4885MAPT 4884/4885ALDH1A1 2703/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 AKR1C3 1362/4885MAPT 4884/4885ALDH1A1 2703/4885
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 AKR1C3 2049/4885MAPT 3369/4885ALDH1A1 2116/4885
US-20130274256-A1 NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS BLVRB, MMP8, PGLS AKR1C3 3921/4885MAPT 4703/4885ALDH1A1 3590/4885

“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.