Racephedrine

Racephedrine

SCHEMBL2168179

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3SLC6A2

The experimentally established mechanism targets of Racephedrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 1/20 0.43
ADRA2C known ✓ P18825 1/20 0.43
CCR5 P51681 2/20 0.44
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
CHRM2 P08172 1/20 0.43
RGS12 O14924 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR2A P28223 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
GNAI1 P63096 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
Racephedrine SCHEMBL2168767 1.00 CCR5 (0.44) CCR5ALDH1A1RAB9ACHRM2ADRA1A
SCHEMBL1783943 0.87 KMT2A (0.47) CCR5ALDH1A1RAB9AHPGDKMT2A
SCHEMBL2167632 0.87 KMT2A (0.47) CCR5ALDH1A1RAB9AHPGDKMT2A
SCHEMBL2166135 0.87 KMT2A (0.47) CCR5ALDH1A1RAB9AHPGDKMT2A
SCHEMBL2168184 0.83 CCR5 (0.43) CCR5ALDH1A1RAB9AHPGDLMNA
SCHEMBL6540481 0.83 CCR5 (0.43) CCR5ALDH1A1RAB9AHPGDLMNA
SCHEMBL1355279 0.81 HTT (0.50) CCR5ALDH1A1RAB9AHPGDLMNA
SCHEMBL12293726 0.81 CCR5 (0.47) CCR5ALDH1A1RAB9AHPGDLMNA
SCHEMBL2167258 0.79 LRRK2 (0.46) CCR5ALDH1A1RAB9AHPGDLMNA
SCHEMBL15148415 0.79 LRRK2 (0.46) CCR5ALDH1A1RAB9AHPGDLMNA

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 12 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

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 ADRA1A 21/4885ADRA2C 6/4885CCR5 3023/4885
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 ADRA1A 39/4885ADRA2C 12/4885CCR5 2658/4885
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 ADRA1A 39/4885ADRA2C 12/4885CCR5 2658/4885
US-20100256231-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 ADRA1A 21/4885ADRA2C 6/4885CCR5 3023/4885

“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.