SCHEMBL5845846

SCHEMBL5845846

CCC(C)(C)C(=O)C(=O)N1CCCC1c1nc(C)no1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.46
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
RIPK1 Q13546 1/20 0.40
GRM5 P41594 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
SCHEMBL5847498 0.87 FKBP1A (0.43) FKBP1ARIPK1
SCHEMBL15494262 0.82 ALDH1A1 (0.52) FKBP1ARIPK1
SCHEMBL1685056 0.82 ALDH1A1 (0.52) FKBP1ARIPK1
SCHEMBL5846577 0.80 GRM5 (0.64) GRM5
SCHEMBL17069015 0.79 HCRTR1 (0.46) HCRTR1HCRTR2GRM5
SCHEMBL13805609 0.78 ALDH1A1 (0.54) HCRTR1HCRTR2
SCHEMBL14407920 0.77 FKBP1A (0.46) FKBP1ARIPK1
SCHEMBL7995090 0.76 FKBP1A (0.57) FKBP1A
SCHEMBL7995095 0.76 FKBP1A (0.57) FKBP1A
SCHEMBL14407912 0.76 RIPK1 (0.44) FKBP1ARIPK1

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 8 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
EP-1135370-A2 CARBOXYLIC ACIDS AND CARBOXYLIC ACID ISOSTERES OF N-HETEROCYCLIC COMPOUNDS GPI NIL Holdings, Inc. (US) 2001-09-26 EP disclosed
WO-2000032588-A2 CARBOXYLIC ACIDS AND CARBOXYLIC ACID ISOSTERES OF N-HETEROCYCLIC COMPOUNDS GPI NIL HOLDINGS, INC. (US) 2000-06-08 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-20030186961-A1 Carboxylic acids and carboxylic acid isosteres of N-heterocyclic compounds BDNF, NGF, HCAR2 FKBP1A 887/4885HCRTR1 67/4885HCRTR2 137/4885

“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.