SCHEMBL6476

SCHEMBL6476

CC(C)(C)C1C(CN)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.34
GABRR2 P28476 1/20 0.34
LMNA P02545 3/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
RIPK1 Q13546 2/20 0.33
DPP4 P27487 2/20 0.33
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2273461 1.00 GABRR1 (0.34) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL6017 1.00 GABRR1 (0.34) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL3102587 1.00 GABRR1 (0.34) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL14678324 0.90 HSD17B10 (0.39) LMNARIPK1DPP4CYP2C19HSD17B10
SCHEMBL2386007 0.90 HSD17B10 (0.39) LMNARIPK1DPP4CYP2C19HSD17B10
SCHEMBL6102565 0.88 GABRR1 (0.32) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL505509 0.88 GABRR1 (0.32) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL8197140 0.88 GABRR1 (0.32) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL860060 0.86 RIPK1 (0.33) LMNARIPK1CYP2C19HSD17B10
SCHEMBL344649 0.86 RIPK1 (0.33) LMNARIPK1CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 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 (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-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PRKCE, PRKCH, PRKCQ GABRR1 363/4885GABRR2 473/4885LMNA 1669/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 GABRR1 862/4885GABRR2 691/4885LMNA 486/4885

“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.