SCHEMBL2498680

SCHEMBL2498680

CCC(=O)O[C@H]1CCCC[C@@H]1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
NAAA Q02083 2/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
THRB P10828 1/20 0.33
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL3744068 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3NAAA
Hydrochloric Acid SCHEMBL29220641 0.98 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL17142328 0.88 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3NAAA
Hydrochloric Acid SCHEMBL28913389 0.86 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL28129853 0.86 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL3744075 0.85 SLC18A3 (0.46) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL5846192 0.79
SCHEMBL28031189 0.79 EPHX2 (0.35) NAAACYP19A1MEN1KMT2AALDH1A1
SCHEMBL15623948 0.78 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL5665568 0.78 CYP19A1 (0.54) CHRM2CHRM4CHRM1CHRM3NAAA

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
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 CHRM2 2132/4885CHRM4 3517/4885CHRM1 1162/4885

“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.