SCHEMBL363711

SCHEMBL363711

CC(C)(C)OC(=O)N1CCC(O)(Cn2ccc([N+](=O)[O-])n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.46
▸ LMNA P02545 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ GPR4 P46093 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL363412 0.82 OPRD1 (0.43) OPRD1OPRK1GPR4NAMPTGPR119
SCHEMBL31105872 0.81 ALDH1A1 (0.49) PKMLMNAALDH1A1MAPTCYP1A2
SCHEMBL1859418 0.80 PKM (0.51) PKMLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL31361627 0.79 ALDH1A1 (0.47) LMNAALDH1A1MAPTCYP2C19KMT2A
SCHEMBL5543260 0.77 ALDH1A1 (0.41) LMNAALDH1A1MAPTKMT2AOPRD1
SCHEMBL19205341 0.76 NR1D1 (0.45) PKMLMNAALDH1A1MAPTCYP1A2
SCHEMBL31303377 0.73 MAPT (0.52) LMNAALDH1A1MAPTKMT2APOLB
SCHEMBL1559337 0.73 ALDH1A1 (0.48) LMNAALDH1A1MAPTGPR119
SCHEMBL30817348 0.73 MAPT (0.72) LMNAALDH1A1MAPTKMT2APOLB
SCHEMBL521187 0.73 PKM (0.53) PKMLMNAALDH1A1CYP1A2CYP3A4

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-2012007409-A1 N-SUBSTITUTED PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010235-A1 N-SUBSTITUTED PYRROLIDINES CHU XIN-JIE (US) 2012-01-12 — — 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-20120010235-A1 N-SUBSTITUTED PYRROLIDINES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD1, TP53 PKM 656/4885LMNA 2624/4885ALDH1A1 799/4885

“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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