SCHEMBL15728634

SCHEMBL15728634

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](n1cc([N+](=O)[O-])cn1)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ GPR119 Q8TDV5 13/20 0.44
▸ PREP P48147 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 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
SCHEMBL27040991 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119PREP
SCHEMBL27040994 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119PREP
SCHEMBL17199602 0.89 ALDH1A1 (0.40) CHRM2CHRM1CHRM3GPR119PREP
SCHEMBL22587586 0.84 ALDH1A1 (0.50) GPR119ALDH1A1LMNAMAPTDDB1
SCHEMBL1558660 0.83 DDB1 (0.52) GPR119ALDH1A1LMNAMAPTDDB1
SCHEMBL16423801 0.82 ALDH1A1 (0.47) GPR119ALDH1A1LMNAMAPTDDB1
SCHEMBL11946808 0.82 CHRM2 (0.54) CHRM2CHRM1CHRM3GPR119PREP
SCHEMBL29548109 0.82 CHRM2 (0.54) CHRM2CHRM1CHRM3GPR119PREP
SCHEMBL26865491 0.82 CHRM2 (0.54) CHRM2CHRM1CHRM3GPR119PREP
SCHEMBL15709870 0.82 F2 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 — — US disclosed
US-9464077-B2 Nitrogen-containing aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-10-11 — — US disclosed
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2014-05-22 — — 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 (2 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-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 CHRM2 2286/4885CHRM1 1705/4885CHRM3 1891/4885
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 CHRM2 2534/4885CHRM1 1920/4885CHRM3 2053/4885

“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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