SCHEMBL5846577

SCHEMBL5846577

CCC(C)(C)C(=O)C(=O)N1CCCC1c1nc(-c2ccc(F)cc2)no1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.64
CLPP Q16740 1/20 0.50
SPHK2 Q9NRA0 5/20 0.49
SPHK1 Q9NYA1 3/20 0.49

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
SCHEMBL5845846 0.80 FKBP1A (0.46) GRM5
SCHEMBL5847498 0.79 FKBP1A (0.43)
SCHEMBL7370584 0.77 GRM5 (0.54) GRM5CLPPSPHK2SPHK1
SCHEMBL15494262 0.74 ALDH1A1 (0.52)
SCHEMBL1685056 0.74 ALDH1A1 (0.52)
SCHEMBL1951891 0.74 GRM5 (0.55) GRM5SPHK2SPHK1
SCHEMBL1951889 0.74 GRM5 (0.55) GRM5SPHK2SPHK1
SCHEMBL7995095 0.73 FKBP1A (0.57)
SCHEMBL7995090 0.73 FKBP1A (0.57)
SCHEMBL19033747 0.73 HCRTR1 (0.59) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135370-B1 CARBOXYLIC ACIDS AND CARBOXYLIC ACID ISOSTERES OF N-HETEROCYCLIC COMPOUNDS GUILFORD PHARM INC (US) 2003-10-15 EP claimed
US-20030186961-A1 Carboxylic acids and carboxylic acid isosteres of N-heterocyclic compounds GUILFORD PHARMACEUTICALS 2003-10-02 US claimed
US-7153883-B2 Carboxylic acids and carboxylic acid isosteres of N-heterocyclic compounds GPI NIL HOLDINGS INC. (US) 2006-12-26 US disclosed
EP-1135370-B1 CARBOXYLIC ACIDS AND CARBOXYLIC ACID ISOSTERES OF N-HETEROCYCLIC COMPOUNDS GUILFORD PHARM INC (US) 2003-10-15 EP disclosed
US-20030186961-A1 Carboxylic acids and carboxylic acid isosteres of N-heterocyclic compounds GUILFORD PHARMACEUTICALS 2003-10-02 US disclosed
US-6331537-B1 TREATING NEUROLOGICAL DISORDERS IN ANIMALS GPI NIL HOLDINGS, INC. 2001-12-18 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-20030186961-A1 Carboxylic acids and carboxylic acid isosteres of N-heterocyclic compounds BDNF, NGF, HCAR2 GRM5 838/4885CLPP 4863/4885SPHK2 2498/4885

“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.