SCHEMBL1270468

SCHEMBL1270468

CCC1(C(=O)CBr)Cc2ccc(F)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1B P35368 1/20 0.42
CXCR5 P32302 10/20 0.39
DPP9 Q86TI2 6/20 0.36
DPP8 Q6V1X1 5/20 0.36
DPP7 Q9UHL4 5/20 0.36
DPP4 P27487 4/20 0.36
PTPN1 P18031 1/20 0.34
NOTUM Q6P988 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL12929037 0.84 GSK3B (0.35) ADRA2ADPP9DPP8DPP7NOTUM
SCHEMBL936918 0.83 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1BCXCR5
SCHEMBL856751 0.81 MME (0.40) ADRA2AADRA2BADRA2CADRA1BPTPN1
SCHEMBL30645250 0.81 MME (0.40) ADRA2AADRA2BADRA2CADRA1BPTPN1
SCHEMBL24440177 0.75 CXCR5 (0.41) ADRA2AADRA2BADRA2CADRA1BCXCR5
SCHEMBL27618127 0.73 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1BCXCR5
SCHEMBL9527248 0.72 ATM (0.39)
SCHEMBL21490402 0.70 CXCR5 (0.37) ADRA2AADRA2BADRA2CADRA1BCXCR5
SCHEMBL21490376 0.70 CXCR5 (0.37) ADRA2AADRA2BADRA2CADRA1BCXCR5
SCHEMBL29443108 0.70 CXCR5 (0.37) ADRA2AADRA2BADRA2CADRA1BCXCR5

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
EP-2459540-A2 PREPARATION OF FIPAMEZOLE Dr. Reddy's Laboratories, Ltd. (IN) 2012-06-06 EP claimed
US-20120130084-A1 PREPARATION OF FIPAMEZOLE DR. REDDY'S LABORATORIES, INC. (US) 2012-05-24 US claimed
WO-2011014613-A2 PREPARATION OF FIPAMEZOLE DR. REDDY'S LABORATORIES LTD. (IN) 2011-02-03 WO claimed
EP-2459540-A2 PREPARATION OF FIPAMEZOLE Dr. Reddy's Laboratories, Ltd. (IN) 2012-06-06 EP disclosed
US-20120130084-A1 PREPARATION OF FIPAMEZOLE DR. REDDY'S LABORATORIES, INC. (US) 2012-05-24 US disclosed
US-20120130084-A1 PREPARATION OF FIPAMEZOLE DR. REDDY'S LABORATORIES, INC. (US) 2012-05-24 US disclosed
US-20120130084-A1 PREPARATION OF FIPAMEZOLE DR. REDDY'S LABORATORIES, INC. (US) 2012-05-24 US disclosed
WO-2011014613-A2 PREPARATION OF FIPAMEZOLE DR. REDDY'S LABORATORIES LTD. (IN) 2011-02-03 WO disclosed
WO-2011014613-A2 PREPARATION OF FIPAMEZOLE DR. REDDY'S LABORATORIES LTD. (IN) 2011-02-03 WO disclosed
EP-1581504-B1 PROCESS FOR PREPARING SUBSTITUTED IMIDAZOLE DERIVATIVES AND INTERMEDIATES USED IN THE PROCESS JUVANTIA PHARMA LTD OY (FI) 2009-03-18 EP disclosed
US-7223871-B2 Process for preparing substituted imidazole derivatives and intermediates used in the process OY JUVANTIA PHARMA LTD. (FI) 2007-05-29 US disclosed
US-20060025465-A1 Process for preparing substituted imidazole derivates and intermediates used in the process OY JUVANTIA PHARMA LTD (FI) 2006-02-02 US disclosed
EP-1581504-A1 PROCESS FOR PREPARING SUBSTITUTED IMIDAZOLE DERIVATIVES AND INTERMEDIATES USED IN THE PROCESS Oy Juvantia Pharma Ltd (FI) 2005-10-05 EP disclosed
WO-2004063168-A1 PROCESS FOR PREPARING SUBSTITUTED IMIDAZOLE DERIVATIVES AND INTERMEDIATES USED IN THE PROCESS OY JUVANTIA PHARMA LTD (FI) 2004-07-29 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 (2 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-20060025465-A1 Process for preparing substituted imidazole derivates and intermediates used in the process HRH2, HRH4, HRH3 ADRA2A 688/4885ADRA2B 782/4885ADRA2C 1118/4885
US-20120130084-A1 PREPARATION OF FIPAMEZOLE FIP1L1, CYP3A7, CYP3A4 ADRA2A 2590/4885ADRA2B 2015/4885ADRA2C 1714/4885

“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.