SCHEMBL2176970

SCHEMBL2176970

C[C@]1(C(=O)O)C[C@H](OCc2cccnc2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KMT2A Q03164 1/20 0.40
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
LMNA P02545 3/20 0.39
OPRK1 P41145 1/20 0.39
TP53 P04637 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.39
NAMPT P43490 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2172058 0.79 KMT2A (0.45) KMT2ALMNATP53SMN1; SMN2NAMPT
SCHEMBL3457634 0.79 SIGMAR1 (0.45) CHRM2CHRM1CHRM3HTR1ADRD2
SCHEMBL2176964 0.78 ADAM10 (0.44) CHRM2CHRM1CHRM3HTR1ADRD2
SCHEMBL2173799 0.76 ADAM10 (0.56)
SCHEMBL2176927 0.76 LMNA (0.43) KMT2ALMNATP53GFERSMN1; SMN2
SCHEMBL2173712 0.75 KMT2A (0.49) KMT2ALMNATP53RAB9APOLB
SCHEMBL2172833 0.75 KMT2A (0.49) KMT2ALMNATP53RAB9APOLB
SCHEMBL2173174 0.68 KMT2A (0.48) KMT2ALMNATP53SMN1; SMN2RAB9A
SCHEMBL8146621 0.67 CHRM2 (0.61) CHRM2CHRM1CHRM3NAMPTRAB9A
SCHEMBL7553856 0.67 CHRM2 (0.71) CHRM2CHRM1CHRM3RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 CHRM2 3112/4885CHRM1 2939/4885CHRM3 3743/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 CHRM2 3108/4885CHRM1 2541/4885CHRM3 3671/4885

“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.