SCHEMBL5210313

SCHEMBL5210313

CN1CCC(C(=O)c2cccc(NC(=O)Nc3cccnc3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
HTT P42858 1/20 0.62
HTR1F P30939 2/20 0.60
NPC1 O15118 4/20 0.58
RAB9A P51151 3/20 0.58
TP53 P04637 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
HIF1A Q16665 1/20 0.58
MAPT P10636 3/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TAAR1 Q96RJ0 1/20 0.51
KMT2A Q03164 5/20 0.50

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
SCHEMBL5212454 0.91 HTR1F (0.58) ALDH1A1HTTHTR1FNPC1RAB9A
SCHEMBL14395102 0.89 HTR1F (0.69) ALDH1A1HTTHTR1FNPC1RAB9A
SCHEMBL5213210 0.89 HTR1F (0.62) ALDH1A1HTTHTR1FCYP3A4PKM
SCHEMBL5211052 0.89 HTR1F (0.56) ALDH1A1HTTHTR1FNPC1RAB9A
SCHEMBL5215939 0.86 HTR1F (0.67) ALDH1A1HTTHTR1FTP53KMT2A
SCHEMBL5210817 0.84 HTR1F (0.65) HTR1FNPC1RAB9AKMT2A
SCHEMBL5214917 0.83 HTR1F (0.67) HTR1FPKMKMT2AMEN1EPHX2
SCHEMBL5210236 0.83 HTR1F (0.59) HTTHTR1FNPC1RAB9ATP53
SCHEMBL5216477 0.83 HTR1F (0.64) ALDH1A1HTTHTR1FNPC1RAB9A
SCHEMBL5214297 0.83 HTR1F (0.64) ALDH1A1HTTHTR1FNPC1RAB9A

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
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
EP-1153013-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
WO-2000047559-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-08-17 WO 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 ALDH1A1 1445/4885HTT 1013/4885HTR1F 1/4885

“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.