SCHEMBL5212974

SCHEMBL5212974

CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.62
HTR6 P50406 2/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
DRD3 P35462 1/20 0.54
HTR1F P30939 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
BRD4 O60885 3/20 0.48
KDM1A O60341 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
BRD1 O95696 2/20 0.46
BRPF1 P55201 2/20 0.46
BRD9 Q9H8M2 2/20 0.46
BRPF3 Q9ULD4 2/20 0.46
BRD7 Q9NPI1 1/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL5212363 0.88 TCF4 (0.59) HTR1FKDM1APOLBMEN1ALDH1A1
SCHEMBL5213124 0.88 HTR1F (0.56) HTR6HTR1FL3MBTL1POLBMEN1
SCHEMBL5213119 0.87 EGFR (0.57) HTR6DRD2HTR2AHTR2CDRD3
SCHEMBL5212060 0.87 HTR1F (0.68) HTR1FL3MBTL1POLBMEN1KMT2A
SCHEMBL5214543 0.87 ITGA1 (0.58) ATICHTR6DRD2HTR2AHTR2C
SCHEMBL5210843 0.87 ITGA1 (0.58) ATICHTR6HTR1FPOLBMEN1
SCHEMBL5216484 0.85 TCF4 (0.64) HTR1FMEN1ALDH1A1KMT2ATCF4
SCHEMBL5208596 0.85 HTR1F (0.53) ATICHTR1FPOLBMEN1ALDH1A1
SCHEMBL5209738 0.84 KDM1A (0.52) HTR6HTR2AHTR1FKDM1AHSD17B1
SCHEMBL5210360 0.84 HTR1F (0.56) HTR1FL3MBTL1MEN1KMT2A

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
EP-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP disclosed
US-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID POZEN INC. (US) 2006-08-10 US disclosed
US-6777428-B1 INHIBIT PEPTIDE EXTRAVASATION DUE TO STIMULATION OF THE TRIGEMINAL GANGLIA, AND ARE THEREFORE USEFUL FOR THE TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS ELI LILLY AND COMPANY 2004-08-17 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-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID HTR1F, HTR1A, HTR1E ATIC 1937/4885HTR6 14/4885DRD2 712/4885

“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.