Sugi Predict

Sugi Predict / Compounds / SCHEMBL1783943

SCHEMBL1783943

SCHEMBL1783943

O=C(O)CC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LRRK2 Q5S007 8/20 0.47
▸ CCR5 P51681 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ USP28 Q96RU2 1/20 0.45
▸ USP25 Q9UHP3 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PTGER1 P34995 2/20 0.45
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44

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
SCHEMBL2166135 1.00 KMT2A (0.47) KMT2ASMN1; SMN2LRRK2CCR5USP2
SCHEMBL2167632 1.00 KMT2A (0.47) KMT2ASMN1; SMN2LRRK2CCR5USP2
SCHEMBL2167258 0.90 LRRK2 (0.46) LRRK2CCR5USP2LMNAUSP28
SCHEMBL12403885 0.90 LRRK2 (0.46) LRRK2CCR5USP2LMNAUSP28
SCHEMBL12293726 0.90 CCR5 (0.47) SMN1; SMN2LRRK2CCR5USP2LMNA
SCHEMBL15148415 0.90 LRRK2 (0.46) LRRK2CCR5USP2LMNAUSP28
SCHEMBL1355279 0.88 HTT (0.50) SMN1; SMN2LRRK2CCR5USP2LMNA
Racephedrine SCHEMBL2168179 0.87 CCR5 (0.44) KMT2ALRRK2CCR5USP2LMNA
Racephedrine SCHEMBL2168767 0.87 CCR5 (0.44) KMT2ALRRK2CCR5USP2LMNA
SCHEMBL724611 0.86 NPSR1 (0.46) SMN1; SMN2LRRK2CCR5USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013021343-A1 PROCESS FOR THE OPTICAL RESOLUTION OF () -3- (2 -BENZYLOXY- 5 - BROMOPHENYL) - 3 - PHENYLPROPIONIC RANBAXY LABORATORIES LIMITED (IN) 2013-02-14 — — WO claimed
US-9085509-B2 Process for preparing fesoterodine ALEMBIC PHARMACEUTICALS LIMITED (IN) 2015-07-21 — — US disclosed
US-20140039216-A1 PROCESS FOR PREPARING FESOTERODINE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2014-02-06 — — US disclosed
US-20130197082-A1 SHORT SYNTHESIS OF TOLTERODINE, INTERMEDIATES AND METABOLITES LEK PHARMACEUTICALS D.D. (SI) 2013-08-01 — — US disclosed
US-20130197082-A1 SHORT SYNTHESIS OF TOLTERODINE, INTERMEDIATES AND METABOLITES LEK PHARMACEUTICALS D.D. (SI) 2013-08-01 — — US disclosed
WO-2013046135-A1 PROCESS FOR THE PREPARATION OF FESOTERODINE OR ITS SALTS RANBAXY LABORATORIES LIMITED (IN) 2013-04-04 — — WO disclosed
WO-2013021343-A1 PROCESS FOR THE OPTICAL RESOLUTION OF () -3- (2 -BENZYLOXY- 5 - BROMOPHENYL) - 3 - PHENYLPROPIONIC RANBAXY LABORATORIES LIMITED (IN) 2013-02-14 — — WO disclosed
WO-2013021343-A1 PROCESS FOR THE OPTICAL RESOLUTION OF () -3- (2 -BENZYLOXY- 5 - BROMOPHENYL) - 3 - PHENYLPROPIONIC RANBAXY LABORATORIES LIMITED (IN) 2013-02-14 — — WO disclosed
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 — — US disclosed
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 — — US disclosed
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2006-11-30 — — US disclosed
CN-1690041-A Novel derivatives of 3,3-diphenylpropylamines SANOL ARZNEI SCHWARZ GMBH (DE) 2005-11-02 — — CN disclosed
CN-1207268-C 3, 3-diphenylpropylamine derivatives SANOL ARZNEI SCHWARZ GMBH (DE) 2005-06-22 — — CN disclosed
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 — — US disclosed
US-6713464-B1 ANTIMUSCARINIC AGENTS WITH SUPERIOR PHARMACOKINETICS SCHWARZ PHARMA AG (DE) 2004-03-30 — — US disclosed
EP-1254890-A1 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2002-11-06 — — EP disclosed
EP-1077912-B1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2002-07-03 — — EP disclosed
CN-1354737-A Novel 3, 3-diphenylpropylamine derivatives SANOL ARZNEI SCHWARZ GMBH (DE) 2002-06-19 — — CN disclosed
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 — — EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 — — 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 (4 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-20130197082-A1 SHORT SYNTHESIS OF TOLTERODINE, INTERMEDIATES AND METABOLITES COMT, UGT1A7, PAH KMT2A 3182/4885SMN1; SMN2 2397/4885LRRK2 2808/4885
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 KMT2A 3711/4885SMN1; SMN2 2304/4885LRRK2 3625/4885
US-20140039216-A1 PROCESS FOR PREPARING FESOTERODINE FES, QDPR, CYP4F3 KMT2A 4345/4885SMN1; SMN2 3323/4885LRRK2 1191/4885
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 KMT2A 3711/4885SMN1; SMN2 2304/4885LRRK2 3625/4885

“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.