SCHEMBL12810228

SCHEMBL12810228

CC(C)(C)OC(=O)N1CCCC1CNc1ncc2cc(Br)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.53
▸ FPR3 P25089 1/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ HCRTR2 O43614 3/20 0.44
▸ PRMT5 O14744 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC22A12 Q96S37 2/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ OPRD1 P41143 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL12810103 0.84 FPR3 (0.49) HCRTR1FPR3FPR2HCRTR2PRMT5
SCHEMBL889104 0.81 PRMT5 (0.46) HCRTR1FPR3FPR2HCRTR2PRMT5
SCHEMBL7204445 0.81 PRMT5 (0.46) HCRTR1FPR3FPR2HCRTR2PRMT5
SCHEMBL23747089 0.81 PRMT5 (0.42) HCRTR1FPR3FPR2HCRTR2PRMT5
SCHEMBL12810180 0.81 FPR3 (0.54) FPR3FPR2PRMT5KMT2AUSP30
SCHEMBL12810167 0.81 PRMT5 (0.45) HCRTR1HCRTR2PRMT5CHEK2GPR119
SCHEMBL888999 0.80 PRMT5 (0.40) HCRTR1HCRTR2PRMT5CHEK2GPR119
SCHEMBL12810003 0.80 L3MBTL1 (0.57) FPR3FPR2PRMT5KMT2ACHEK2
SCHEMBL1598677 0.80 FPR3 (0.53) HCRTR1FPR3FPR2HCRTR2PRMT5
SCHEMBL1598674 0.80 FPR3 (0.53) HCRTR1FPR3FPR2HCRTR2PRMT5

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
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 — — WO disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 — — 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HCRTR1 3277/4885FPR3 3154/4885FPR2 4049/4885

“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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