SCHEMBL1538044

SCHEMBL1538044

Fc1ccccc1CBr.[MgH2]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
IDO1 P14902 2/20 0.48
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.42
AOC3 Q16853 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.39
CYP2A13 Q16696 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5054 0.97
SCHEMBL20465742 0.97
SCHEMBL30765100 0.97
SCHEMBL4441044 0.95 TAAR1 (0.52) TAAR1IDO1LMNAALDH1A1AOC3
Water SCHEMBL450787 0.95 TAAR1 (0.52) TAAR1IDO1LMNAALDH1A1AOC3
Benzene SCHEMBL28870609 0.95 TAAR1 (0.52) TAAR1IDO1LMNAALDH1A1AOC3
Benzyl Bromide SCHEMBL6043969 0.86 ALDH1A1 (0.61) TAAR1IDO1LMNAALDH1A1AOC3
Bicarbonate SCHEMBL16454532 0.83 ALDH1A1 (0.43) TAAR1IDO1LMNAALDH1A1KMT2A
SCHEMBL7364761 0.83 CYP3A4 (0.48) TAAR1IDO1LMNAALDH1A1AOC3
Ether SCHEMBL453112 0.83 IDO1 (0.44) TAAR1IDO1LMNAALDH1A1AOC3

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
WO-2009066326-A2 IMPROVED PROCESS FOR THE PREPARATION OF PRASUGREL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2009-05-28 WO claimed
US-8394993-B2 Process for the preparation of pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2013-03-12 US disclosed
EP-2499147-A2 IMPROVED PROCESSES FOR PREPARING PRASUGREL AND PHARMACEUTICALLY ACCEPTABLE SALTS THEROEOF MSN Laboratories Limited (IN) 2012-09-19 EP disclosed
US-20120202066-A1 Processes For Preparing Prasugrel And Pharmaceutically Acceptable Salts Thereof MSN LABORATORIES LIMITED (IN) 2012-08-09 US disclosed
EP-2231575-B1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUEKOEDOE RESZVENYTARSASAG (HU) 2011-06-22 EP disclosed
WO-2011042918-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PRASUGREL, ITS INTERMEDIATES AND PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2011-04-14 WO disclosed
EP-1966146-B1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-03-02 EP disclosed
US-20100274020-A1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-10-28 US disclosed
EP-2231575-A2 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvánosan Müködö Részvénytársaság (HU) 2010-09-29 EP disclosed
WO-2009068923-A2 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MŰKÖDŐ RÉSZVÉNYTÁRSASÁG (HU) 2009-06-04 WO disclosed
WO-2009066326-A2 IMPROVED PROCESS FOR THE PREPARATION OF PRASUGREL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2009-05-28 WO disclosed
EP-1966146-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS Solvay Pharmaceuticals B.V. (NL) 2008-09-10 EP disclosed
WO-2007071662-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2007-06-28 WO disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 US disclosed
EP-0862568-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AS SELECTIVE AGONISTS OF 5-HT RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1998-09-09 EP disclosed
WO-1997018202-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AS SELECTIVE AGONISTS OF 5-HT RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 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 (3 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-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators CNR1, CNR2, GPR55 TAAR1 278/4885IDO1 1895/4885LMNA 4320/4885
US-20100274020-A1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES PF4, F2, F3 TAAR1 3966/4885IDO1 3637/4885LMNA 3000/4885
US-20120202066-A1 Processes For Preparing Prasugrel And Pharmaceutically Acceptable Salts Thereof SF1, PFKP, CYP2F1 TAAR1 3868/4885IDO1 3605/4885LMNA 3854/4885

“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.