SCHEMBL13773323

SCHEMBL13773323

Cc1[nH]c2ccc(C[C@H]3COC(=O)N3)cc2c1CCN(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 11/20 0.67
▸ HTR1B P28222 8/20 0.67
▸ HTR1A P08908 5/20 0.67
▸ HTR2A P28223 4/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ HTR1F P30939 2/20 0.52
▸ HTR6 P50406 3/20 0.50
▸ HTR7 P34969 2/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ SCN9A Q15858 1/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ HTR1E P28566 1/20 0.48
▸ HTR5A P47898 1/20 0.48
▸ PPARG P37231 1/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL13773322 0.87 HTR1D (0.53) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL4087151 0.86 HTR1D (0.62) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL4087159 0.86 HTR1D (0.62) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL4077874 0.84 HTR1D (0.60) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL4077871 0.84 HTR1D (0.60) HTR1DHTR1BHTR1AHTR2AKMT2A
Hydrochloric Acid SCHEMBL6478835 0.83 HTR1D (0.59) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL4427888 0.80 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL33336 0.80 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL14861150 0.80 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL40595 0.80 HTR1D (1.00) 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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.

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