SCHEMBL5210602

SCHEMBL5210602

CN1CCC(C(=O)c2cccc(Nc3cccc(C(F)(F)F)c3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.59
IDH2 P48735 2/20 0.55
LMNA P02545 3/20 0.54
HSD11B1 P28845 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MGLL Q99685 1/20 0.51
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.49
TRPV4 Q9HBA0 1/20 0.49
UBE2M P61081 3/20 0.48
DCUN1D1 Q96GG9 3/20 0.48
BRAF P15056 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL5210296 0.88 HTR1F (0.71) HTR1FLMNAALDH1A1TP53TRPV4
Oxalic Acid SCHEMBL5212893 0.86 HTR1F (0.58) HTR1FLMNAKDM4EALDH1A1TP53
SCHEMBL5208521 0.85 HTR1F (0.63) HTR1FMGLLTP53MEN1KMT2A
SCHEMBL5208415 0.84 HTR1F (0.69) HTR1FHSD11B1MGLLALDH1A1MEN1
SCHEMBL5214686 0.84 HTR1F (0.80) HTR1FLMNAALDH1A1TP53MAPT
SCHEMBL5210217 0.84 ALDH1A1 (0.57) HTR1FLMNAHSD11B1KDM4EMGLL
SCHEMBL5212894 0.83 HTR1F (0.75) HTR1FHSD11B1MGLLMEN1KMT2A
SCHEMBL5214137 0.83 HTR1F (0.68) HTR1FHSD11B1MGLLMEN1KMT2A
SCHEMBL5212195 0.83 HTR1F (0.56) HTR1FLMNAMGLLMEN1KMT2A
SCHEMBL5210147 0.83 HTR1F (0.59) HTR1FHSD11B1MGLLBRAFMEN1

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
EP-1841427-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID Pozen, Inc. (US) 2007-10-10 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
WO-2006081127-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID POZEN INC. (US) 2006-08-03 WO 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 HTR1F 1/4885IDH2 4861/4885LMNA 2607/4885

“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.