SCHEMBL23705807

SCHEMBL23705807

CC(C)(C)C1CN(c2ncc(C(F)(F)F)cc2F)CCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
ACACB O00763 2/20 0.45
CHRM5 P08912 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 3/20 0.43
SLC6A9 P48067 4/20 0.41
KCNH2 Q12809 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CXCR3 P49682 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL23706068 0.86 RBP4 (0.43) CHRM2CHRM1CHRM3SMN1; SMN2LMNA
SCHEMBL4159672 0.80 NR1H2 (0.43) ACACBSMN1; SMN2LMNASLC6A9KCNH2
SCHEMBL29029957 0.78 TRPV1 (0.38) CHRM2CHRM1CHRM3SLC6A9GAA
SCHEMBL26087048 0.75 ACACB (0.49) CHRM2CHRM1CHRM3ACACBCHRM5
SCHEMBL23705781 0.75 SLC6A9 (0.38) SMN1; SMN2LMNASLC6A9
SCHEMBL26924824 0.74 GRM1 (0.37) SLC6A9CHRM4
SCHEMBL5341381 0.73 PHGDH (0.39) LMNASLC6A9MAPTHPGDHTT
SCHEMBL31381279 0.72 LMNA (0.54) CHRM2CHRM1CHRM3ACACBCHRM5
SCHEMBL4508825 0.72 GRM4 (0.42) SMN1; SMN2LMNACXCR3CHRM4NPC1
SCHEMBL28562903 0.72 SLC6A7 (0.33) KMT2ANR1H3

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-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
WO-2021155196-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 WO 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-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM1, GRM2, GRIN1 CHRM2 101/4885CHRM1 91/4885CHRM3 205/4885

“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.