SCHEMBL4077874

SCHEMBL4077874

CCOC(=O)c1[nH]c2ccc(CC3COC(=O)N3)cc2c1CCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 9/20 0.60
▸ HTR1B P28222 6/20 0.58
▸ HTR1A P08908 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ HTR1F P30939 2/20 0.55
▸ HTR6 P50406 2/20 0.55
▸ DRD2 P14416 1/20 0.55
▸ DRD4 P21917 1/20 0.55
▸ HTR7 P34969 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ SCN9A Q15858 1/20 0.46
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4077871 1.00 HTR1D (0.60) HTR1DHTR1BHTR1AKMT2AHTR2A
Hydrochloric Acid SCHEMBL6478835 0.99 HTR1D (0.59) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL4077699 0.90 HTR1D (0.47) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL4077697 0.90 HTR1D (0.47) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL5538713 0.90 HTR1D (0.54) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL5537756 0.89 HTR6 (0.53) HTR1DHTR1BHTR1AKMT2AHTR2A
Hydrochloric Acid SCHEMBL5532214 0.89 HTR6 (0.53) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL4087151 0.88 HTR1D (0.62) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL4087159 0.88 HTR1D (0.62) HTR1DHTR1BHTR1AKMT2AHTR2A
Acetic Acid SCHEMBL8931562 0.86 HTR1D (0.54) HTR1DHTR1BHTR1AKMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563904-B2 Synthesis intermediates useful for preparing zolmitriptan INKE, S.A. (ES) 2009-07-21 — — US disclosed
US-20080306279-A1 Synthesis Intermediates Useful For Preparing Zolmitriptan INKE, S.A. (ES) 2008-12-11 — — US disclosed
US-7342035-B2 Reduction, acidification of aniline diazonium salt ; In situ reaction of hydrazine hydrochloride with alpha-keto-delta-valerolactone; Fischer indole synthesis of hydrazone; Transesterification of pyranoindolone; Conversion of hydroxyl group into amino; Saponification, decarboxylation of indolecarboxylate INKE, S.A. (ES) 2008-03-11 — — US disclosed
EP-1534705-B1 PROCESS FOR PREPARING ZOLMITRIPTAN COMPOUNDS INKE SA (ES) 2006-07-26 — — EP disclosed
US-20060025600-A1 Process for preparing zolmitriptan compounds INKE, S.A. (ES) 2006-02-02 — — 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 (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-20080306279-A1 Synthesis Intermediates Useful For Preparing Zolmitriptan CYP51A1, CYP4A11, TPSD1 HTR1D 334/4885HTR1B 416/4885HTR1A 436/4885
US-20060025600-A1 Process for preparing zolmitriptan compounds CYP51A1, CYP4A11, HSD11B1 HTR1D 236/4885HTR1B 310/4885HTR1A 430/4885

“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.

Send feedback