SCHEMBL16080652

SCHEMBL16080652

COCC1(OC)CCC(N)(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.38
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GRM4 Q14833 6/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GRM8 O00222 2/20 0.32
GRM6 O15303 2/20 0.32
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32
MTOR P42345 1/20 0.32
GRM1 Q13255 1/20 0.32
PLCB1 Q9NQ66 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL16080653 1.00 NSD2 (0.38) NSD2ACACBACACAGRM4CYP1A2
Hydrochloric Acid SCHEMBL16045268 0.98 NSD2 (0.36) NSD2ACACBACACAGRM4CYP1A2
Hydrochloric Acid SCHEMBL16042568 0.98 NSD2 (0.36) NSD2ACACBACACAGRM4CYP1A2
SCHEMBL16042510 0.84 LMNA (0.32) ACACBACACALMNA
SCHEMBL14675769 0.84 LMNA (0.32) ACACBACACALMNA
SCHEMBL2587022 0.77
SCHEMBL14676213 0.74 GRM2 (0.34) GRM4GRM2GRM3GRM8GRM6
SCHEMBL14675771 0.74 GRM2 (0.34) GRM4GRM2GRM3GRM8GRM6
SCHEMBL13103293 0.72 NSD2 (0.43) NSD2GRM4CYP1A2CYP2C19GRM2
1-Aminocyclopropane Carboxylic Acid SCHEMBL21462059 0.72 NSD2 (0.63) NSD2GRM4CYP1A2CYP2C19GRM2

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-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 US disclosed
US-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-18 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-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE MALT1, UGT1A3, BMI1 NSD2 3909/4885ACACB 1121/4885ACACA 1826/4885

“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.