SCHEMBL18685605

SCHEMBL18685605

O=C(O)/C=C/C1CCCCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ EGLN3 Q9H6Z9 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NLRP1 Q9C000 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL1151110 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL17263955 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL11845850 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL1122750 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL9133112 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL23749603 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL642122 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL791541 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL1151112 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL221714 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170087156-A1 1-((3S,4R)-4-(3-FLUOROPHENYL)-1-(2-METHOXYETHYL)PYRROLIDIN-3-YL)-3-(4-METHYL-3-(2-METHYLPYRIMIDIN-5-YL)-1-PHENYL-1H-PYRAZOL-5-YL)UREA AS A TRKA KINASE INHIBITOR ARRAY BIOPHARMA INC. (US) 2017-03-30 — — 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-20170087156-A1 1-((3S,4R)-4-(3-FLUOROPHENYL)-1-(2-METHOXYETHYL)PYRROLIDIN-3-YL)-3-(4-METHYL-3-(2-METHYLPYRIMIDIN-5-YL)-1-PHENYL-1H-PYRAZOL-5-YL)UREA AS A TRKA KINASE INHIBITOR MUSK, CHUK, MAP3K1 HTT 2880/4885SMN1; SMN2 1866/4885NPC1 4321/4885

“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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