SCHEMBL1666003

SCHEMBL1666003

O=C1NC(=O)C2(CC[C@@H](C(=O)O)C2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
GRM4 Q14833 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
LMNA P02545 1/20 0.41
GRM5 P41594 1/20 0.41
MTOR P42345 1/20 0.41
GRM1 Q13255 1/20 0.41
PLCB1 Q9NQ66 1/20 0.41
CRBN Q96SW2 7/20 0.40
DDB1 Q16531 3/20 0.38
RORC P51449 1/20 0.32
APLNR P35414 1/20 0.31
GABRP O00591 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
SCHEMBL11902837 1.00 GRM2 (0.41) GRM2GRM3GRM4CYP2C19TSHR
SCHEMBL22506220 0.89 CRBN (0.45) GRM2GRM3GRM4CYP2C19TSHR
SCHEMBL13037418 0.89 TSHR (0.46) GRM2GRM3GRM4CYP2C19TSHR
SCHEMBL26649134 0.85 CYP2C19 (0.48) CYP2C19CYP1A2ALOX15CRBNDDB1
SCHEMBL26648974 0.85 CYP2C19 (0.48) CYP2C19CYP1A2ALOX15CRBNDDB1
SCHEMBL26648970 0.85 CYP2C19 (0.48) CYP2C19CYP1A2ALOX15CRBNDDB1
SCHEMBL16892202 0.77 CRBN (0.41) TDP1CRBNDDB1RORC
SCHEMBL11963583 0.74 TSHR (0.44) TSHRCRBNDDB1
SCHEMBL16887654 0.73 CRBN (0.38) TDP1CRBNDDB1RORC
SCHEMBL31375670 0.73 CRBN (0.36) TDP1CRBNDDB1PYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
EP-2486034-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
WO-2011044197-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
WO-2011044197-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 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-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CXCR1, CCR7 GRM2 1090/4885GRM3 1031/4885GRM4 1093/4885

“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.