SCHEMBL2167258

SCHEMBL2167258

O=C(Cl)C[C@@H](c1ccccc1)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.46
CCR5 P51681 1/20 0.44
PTGER1 P34995 3/20 0.44
CYP1A2 P05177 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL12403885 1.00 LRRK2 (0.46) LRRK2CCR5PTGER1CYP1A2USP2
SCHEMBL15148415 1.00 LRRK2 (0.46) LRRK2CCR5PTGER1CYP1A2USP2
SCHEMBL1783943 0.90 KMT2A (0.47) LRRK2CCR5PTGER1USP2LMNA
SCHEMBL2167632 0.90 KMT2A (0.47) LRRK2CCR5PTGER1USP2LMNA
SCHEMBL2166135 0.90 KMT2A (0.47) LRRK2CCR5PTGER1USP2LMNA
SCHEMBL12293726 0.88 CCR5 (0.47) LRRK2CCR5PTGER1CYP1A2USP2
SCHEMBL1355279 0.86 HTT (0.50) LRRK2CCR5USP2LMNAUSP28
SCHEMBL1992692 0.85 FOLH1 (0.42) PTGER1LMNARAB9AHPGDHTT
SCHEMBL1992690 0.85 FOLH1 (0.42) PTGER1LMNARAB9AHPGDHTT
SCHEMBL1989522 0.85 PTGER1 (0.46) LRRK2PTGER1ALDH1A1HPGDHTT

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 3023/4885PTGER1 457/4885
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 LRRK2 3625/4885CCR5 2658/4885PTGER1 361/4885
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 LRRK2 3625/4885CCR5 2658/4885PTGER1 361/4885
US-20100256231-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 LRRK2 2596/4885CCR5 3023/4885PTGER1 457/4885

“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.