SCHEMBL2167339

SCHEMBL2167339

O=C(O)[C@@H](Cc1ccccc1)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.47
CCR5 P51681 2/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
USP28 Q96RU2 1/20 0.46
USP25 Q9UHP3 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
PTGER1 P34995 3/20 0.46
HTT P42858 1/20 0.45
FOLH1 Q04609 1/20 0.45
SLC6A4 P31645 1/20 0.44
CYP1A2 P05177 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
SCHEMBL2167940 1.00 LRRK2 (0.47) LRRK2CCR5USP2LMNAUSP28
SCHEMBL27563218 1.00 LRRK2 (0.47) LRRK2CCR5USP2LMNAUSP28
SCHEMBL3961754 0.88 LMNA (0.51) LRRK2CCR5USP2LMNAUSP28
SCHEMBL7121592 0.86 LRRK2 (0.49) LRRK2CCR5USP2LMNAUSP28
SCHEMBL4000311 0.84 PTGER1 (0.55) LRRK2LMNARAB9APTGER1
SCHEMBL6323971 0.84 MRGPRX4 (0.49) PTGER1
Hydrochloric Acid SCHEMBL6834965 0.83 MRGPRX4 (0.48) PTGER1
SCHEMBL17700696 0.81 CCR5 (0.52) LRRK2CCR5USP2LMNAUSP28
SCHEMBL23599912 0.79 USP28 (0.54) LRRK2CCR5USP2LMNAUSP28
SCHEMBL16293531 0.78 CCR5 (0.59) CCR5LMNAUSP28USP25ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 US disclosed
US-7985772-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2011-07-26 US disclosed
US-7855230-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2010-12-21 US disclosed
US-20100256231-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES UCB PHARMA GMBH (DE) 2010-10-07 US disclosed
US-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2009-02-12 US disclosed
US-7384980-B2 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2008-06-10 US disclosed
US-7230030-B2 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2007-06-12 US disclosed
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2006-11-30 US 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
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-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 LRRK2 2596/4885CCR5 3023/4885USP2 1225/4885
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 LRRK2 3625/4885CCR5 2658/4885USP2 1446/4885
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 LRRK2 3625/4885CCR5 2658/4885USP2 1446/4885
US-20100256231-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 LRRK2 2596/4885CCR5 3023/4885USP2 1225/4885

“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.