SCHEMBL5216477

SCHEMBL5216477

CN1CCC(C(=O)c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.64
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
MAPT P10636 5/20 0.55
LMNA P02545 5/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
MGLL Q99685 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 2/20 0.49
POLB P06746 2/20 0.49
EPHX1 P07099 1/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL5212335 0.92 HTR1F (0.62) HTR1FNPC1RAB9ANPSR1KMT2A
SCHEMBL5211098 0.91 HTR1F (0.61) HTR1FNPC1RAB9ANPSR1KMT2A
SCHEMBL5207850 0.90 HTR1F (0.60) HTR1FNPSR1KMT2AMEN1LMNA
SCHEMBL5212892 0.89 HTR1F (0.72) HTR1FNPC1RAB9ANPSR1MAPT
SCHEMBL5215939 0.89 HTR1F (0.67) HTR1FKMT2AMEN1HTTALDH1A1
SCHEMBL5216462 0.87 NPC1 (0.61) HTR1FNPC1RAB9ANPSR1KMT2A
SCHEMBL5210817 0.87 HTR1F (0.65) HTR1FNPC1RAB9AKMT2A
SCHEMBL5214917 0.86 HTR1F (0.67) HTR1FKMT2AMEN1EPHX2
SCHEMBL5212023 0.86 HTR1F (0.67) HTR1FNPC1RAB9AKMT2AMEN1
SCHEMBL5214297 0.86 HTR1F (0.64) HTR1FNPC1RAB9AKMT2AMEN1

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 HTR1F 1/4885NPC1 840/4885RAB9A 3097/4885

“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.