SCHEMBL6350183

SCHEMBL6350183

Nc1ccc2c(c1)CC[C@@H](CC(=O)O)O2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
FFAR4 Q5NUL3 7/20 0.41
FFAR1 O14842 2/20 0.41
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 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
SCHEMBL7036046 1.00 ITGB3 (0.57) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL6350179 1.00 ITGB3 (0.57) ITGB3ITGA2BFFAR4FFAR1DRD2
Hydrochloric Acid SCHEMBL7028247 0.99 ITGB3 (0.56) ITGB3ITGA2BFFAR4FFAR1DRD2
Hydrochloric Acid SCHEMBL6699749 0.99 ITGB3 (0.56) ITGB3ITGA2BFFAR4FFAR1DRD2
Hydrochloric Acid SCHEMBL7031484 0.99 ITGB3 (0.56) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL18160779 0.83 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL28857157 0.83 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL27755780 0.83 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL28857113 0.83 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL6351624 0.82 MLNR (0.39) ITGB3ITGA2BFFAR4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286982-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYLIC COMPOUNDS AND CHIRAL BNEZOPYRAN DERIVATIVES Eli Lilly & Company (US) 2003-03-05 EP claimed
WO-2001094333-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYCLIC COMPOUNDS AND CHIRAL BENZOPYRAN DERIVATIVES ELI LILLY & COMPANY (US) 2001-12-13 WO claimed
US-6903227-B2 Synthesis of 2-acyl substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-6855833-B2 Methods for producing amino substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
US-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives MILLENNIUM PHARMACEUTICALS, INC. 2004-03-04 US disclosed
US-20030233002-A1 Synthesis of 2-Acyl substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. 2003-12-18 US disclosed
EP-1286982-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYLIC COMPOUNDS AND CHIRAL BNEZOPYRAN DERIVATIVES Eli Lilly & Company (US) 2003-03-05 EP disclosed
WO-2001094333-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYCLIC COMPOUNDS AND CHIRAL BENZOPYRAN DERIVATIVES ELI LILLY & COMPANY (US) 2001-12-13 WO disclosed
WO-2001092250-A2 SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND INTERMEDIATES THEREOF COR THERAPEUTICS, INC. (US) 2001-12-06 WO disclosed
WO-2001092249-A2 CHIRAL AND ACHIRAL SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND THEIR DERIVATIVES COR THERAPEUTICS, INC. (US) 2001-12-06 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 (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-20030233002-A1 Synthesis of 2-Acyl substituted chromanes and intermediates thereof PLA2G7, PAFAH1B2, PAFAH1B3 ITGB3 1014/4885ITGA2B 678/4885FFAR4 481/4885
US-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives ACAT2, ACACA, COASY ITGB3 203/4885ITGA2B 395/4885FFAR4 272/4885

“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.