SCHEMBL12384507

SCHEMBL12384507

c1ccc(CCCc2ccc3c(ccn3C(CCc3ccccc3)c3ccc4[nH]ccc4c3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.39
▸ SLC6A4 P31645 5/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ CYP19A1 P11511 4/20 0.39
▸ CYP2D6 P10635 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MET P08581 1/20 0.32

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
SCHEMBL12422721 0.81 CYP19A1 (0.36) SLC6A2SLC6A4SLC6A3ITGB3ITGAV
SCHEMBL15428344 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ITGB3ITGAV
SCHEMBL12384488 0.77 HDAC1 (0.57) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL6099420 0.71 NPC1 (0.55) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL27742085 0.66 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL3268892 0.64 SIGMAR1 (0.51) SLC6A4HDAC1HDAC8SIGMAR1KDM1A
SCHEMBL8666600 0.64 HDAC1 (0.55) HDAC1HDAC8CYP19A1KDM1AMAOA
SCHEMBL13539226 0.64 NPC1 (0.45) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL13230530 0.64 HDAC1 (0.47) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL30030142 0.63 CYP17A1 (0.55) SLC6A2SLC6A4SLC6A3HDAC1HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633239-B2 Process for the preparation of eletriptan BIOPHORE INDIA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-01-21 — — US disclosed
US-20110207943-A1 NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN BIOPHORE INDIA PHARMACEUTICALS PRIVATE LIMITED (IN) 2011-08-25 — — 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-20110207943-A1 NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN HTR3C, HTR3A, HTR1A SLC6A2 152/4885SLC6A4 25/4885SLC6A3 166/4885

“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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