SCHEMBL5528416

SCHEMBL5528416

NCCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.75
HTR1B P28222 11/20 0.75
HTR1A P08908 9/20 0.75
HTR2A P28223 5/20 0.75
KMT2A Q03164 1/20 0.75
ADRA1A P35348 1/20 0.75
HTR1F P30939 1/20 0.58
HTR2C P28335 1/20 0.47
TRPM8 Q7Z2W7 2/20 0.46
MPO P05164 1/20 0.46

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
SCHEMBL7811586 1.00 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7811321 1.00 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL8091337 0.89 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL8091339 0.89 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL2617889 0.89 HTR1D (0.78) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL2739219 0.86 HTR1D (0.74) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL40595 0.86 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL4427888 0.86 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL33336 0.86 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7817210 0.86 HTR1D (0.74) HTR1DHTR1BHTR1AHTR2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112157-A1 PROCESS FOR THE PREPARATION OF ZOLMITRIPTAN, SALTS AND SOLVATES THEREOF GENERICS [UK] LIMITED (GB) 2011-05-12 US disclosed
WO-2009044211-A1 PROCESS FOR THE PREPARATION OF ZOLMITRIPTAN, SALTS AND SOLVATES THEREOF GENERICS [UK] LIMITED (GB) 2009-04-09 WO disclosed
EP-1799675-A1 PROCESS FOR PREPARING OPTICALLY PURE ZOLMITRIPTAN Dr. Reddy's Laboratories Ltd. (IN) 2007-06-27 EP disclosed
WO-2005105792-A1 PROCESS FOR PREPARING OPTICALLY PURE ZOLMITRIPTAN DR. REDDY'S LABORATORIES LTD. (IN) 2005-11-10 WO disclosed
US-20050245585-A1 Process for preparing optically pure zolmitriptan DR. REDDY'S LABORATORIES LIMITED (IN) 2005-11-03 US disclosed
EP-0636623-B1 Indole derivatives as 5-HT1- like agonists ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
EP-0486666-B1 THERAPEUTIC HETEROCYCLIC COMPOUNDS ZENECA LTD (GB) 1997-08-13 EP disclosed
US-5466699-A Indolyl compounds for treating migraine BURROUGHS WELLCOME CO. (US) 1995-11-14 US disclosed
US-5399574-A 5-hydroxytryptamine agonists; vasoconstrictors BURROUGHS WELLCOME CO. (US) 1995-03-21 US disclosed
EP-0636623-A1 Indole derivatives as 5-HT1- like agonists THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-01 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 (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-20050245585-A1 Process for preparing optically pure zolmitriptan HTR3A, HTR5A, HTR2A HTR1D 7/4885HTR1B 11/4885HTR1A 4/4885
US-20110112157-A1 PROCESS FOR THE PREPARATION OF ZOLMITRIPTAN, SALTS AND SOLVATES THEREOF LPXN, LIPA, NPSR1 HTR1D 30/4885HTR1B 105/4885HTR1A 27/4885

“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.