SCHEMBL21146530

SCHEMBL21146530

CCC(C)c1ccn(CC(F)(F)F)c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ ACACB O00763 1/20 0.30

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
SCHEMBL18468618 0.86 CYP3A4 (0.37) HDAC4HDAC2HDAC8CYP3A4CYP2C9
SCHEMBL26007787 0.85 HDAC4 (0.44) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL18324218 0.74 GRIA2 (0.36) CYP3A4CYP2C9HSD11B1CYP2C19ALDH1A1
SCHEMBL21484164 0.74 ACACB (0.36) HDAC4HDAC2HDAC8PTGS2ACACB
SCHEMBL13975261 0.74 DRD2 (0.39) CYP3A4CYP2C9HSD11B1CYP2C19ALDH1A1
SCHEMBL25884992 0.74 HDAC4 (0.45) HDAC4HDAC2HDAC8CYP3A4CYP2C9
SCHEMBL14501877 0.72 ACACB (0.40) HDAC4HDAC2HDAC8CYP3A4HSD11B1
SCHEMBL18650813 0.71 PTPN5 (0.45) HDAC4HDAC2HDAC8CYP3A4CYP2C9
SCHEMBL22559358 0.70 MEN1 (0.36) CYP3A4CYP2C9HSD11B1CYP2C19MEN1
SCHEMBL591171 0.70 MEN1 (0.36) CYP3A4CYP2C9HSD11B1CYP2C19MEN1

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-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 — — 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-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK HDAC4 3655/4885HDAC2 3910/4885HDAC8 3337/4885

“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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