SCHEMBL1697459

SCHEMBL1697459

CC(=O)n1cc(CC2CCCN2C)c2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL2180885 1.00 HTR6 (0.46) HTR6CHRNB2CHRNA7CHRNA4HTR1D
SCHEMBL6965704 0.86 HTR6 (0.49) HTR6CHRNB2CHRNA7CHRNA4HTR1D
SCHEMBL6965707 0.86 HTR6 (0.49) HTR6CHRNB2CHRNA7CHRNA4HTR1D
SCHEMBL6967984 0.86 HTR6 (0.49) HTR6CHRNB2CHRNA7CHRNA4HTR1D
SCHEMBL8979664 0.86 HTR6 (0.45) HTR6CHRNB2CHRNA7CHRNA4HTR1D
SCHEMBL19150272 0.86 HTR6 (0.45) HTR6CHRNB2CHRNA7CHRNA4HTR1D
SCHEMBL14627126 0.84 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL14593917 0.83 HTR6 (0.43) HTR6HTR1DHTR1B
SCHEMBL7481650 0.78 CNR2 (0.47) HTR6HTR1DHTR1B
SCHEMBL7481644 0.78 CNR2 (0.47) HTR6HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100430388-C Improved process for the preparation of alpha-polymorphic eletriptan hydrobromide PFIZER (US) 2008-11-05 CN claimed
EP-1660485-B1 IMPROVED PROCESS FOR PREPARING ALPHA-POLYMORPHIC ELETRIPTAN HYDROBROMIDE PFIZER LTD (GB) 2006-12-27 EP claimed
CN-1823060-A Improved process for preparing alpha-polymorphic eletriptan hydrobromide PFIZER (US) 2006-08-23 CN claimed
US-20050245591-A1 Process PFIZER INC. 2005-11-03 US claimed
US-20050020663-A1 Process FURLONG PATRICK JOSEPH (IE) 2005-01-27 US claimed
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 WO disclosed
WO-2011004391-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ELETRIPTAN AND ITS SALT THEREOF MATRIX LABORATORIES LTD (IN) 2011-01-13 WO disclosed
CN-100430388-C Improved process for the preparation of alpha-polymorphic eletriptan hydrobromide PFIZER (US) 2008-11-05 CN disclosed
US-7288662-B2 Process for the preparation of eletriptan PFIZER, INC. (US) 2007-10-30 US disclosed
US-7164030-B2 Improved preparation of alpha -polymorphic eletriptan hydrobromide, by salt formation in a solution of 2-butanone and water, distillation, dehydration, desolventizing; purity, white color crystals PFIZER INC. (US) 2007-01-16 US disclosed
CN-1823060-A Improved process for preparing alpha-polymorphic eletriptan hydrobromide PFIZER (US) 2006-08-23 CN disclosed
US-20050245591-A1 Process PFIZER INC. 2005-11-03 US disclosed
EP-1373254-B1 Process for the preparation of the anti-migraine drug eletriptan PFIZER LTD (GB) 2005-11-02 EP disclosed
US-6927296-B2 Process PFIZER INC. (US) 2005-08-09 US disclosed
US-20050059828-A1 Process for the preparation of eletriptan PFIZER INC. 2005-03-17 US disclosed
US-20050020663-A1 Process FURLONG PATRICK JOSEPH (IE) 2005-01-27 US disclosed
US-20030166704-A1 New process PFIZER INC. 2003-09-04 US 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-20050245591-A1 Process TPSD1, TPSAB1, TPSB2 HTR6 260/4885CHRNB2 52/4885CHRNA7 153/4885
US-20050059828-A1 Process for the preparation of eletriptan TFPI, HTR3A, HTR3E HTR6 20/4885CHRNB2 741/4885CHRNA7 433/4885
US-20050020663-A1 Process TPSD1, TPSAB1, TPSB2 HTR6 260/4885CHRNB2 52/4885CHRNA7 153/4885
US-20030166704-A1 New process TFPI, HTR4, HTR5A HTR6 20/4885CHRNB2 499/4885CHRNA7 455/4885

“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.