SCHEMBL3908482

SCHEMBL3908482

CCC(CC(C)C)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CPA1 P15085 1/20 0.38
ANPEP P15144 2/20 0.37
LAP3 P28838 1/20 0.37
IL1RN P18510 2/20 0.36
ERAP2 Q6P179 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
RNPEP Q9H4A4 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL14261040 1.00 CA1 (0.52) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL276673 0.87 SLC1A3 (0.50) CA1CA2SLC1A3SLC1A2SLC7A5
SCHEMBL11960690 0.83 CA2 (0.50) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL14617630 0.81 CA2 (0.48) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL3914198 0.81 CA1 (0.48) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL18737 0.81
SCHEMBL27041452 0.80 SLC1A2 (0.64) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL21014922 0.80 CACNA2D1 (0.45) CA1CA2SLC1A3SLC1A2SLC7A5
SCHEMBL12442311 0.79 SLC1A3 (0.47) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL1105036 0.79 SLC1A3 (0.47) CA1CA2SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351580-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2025-07-08 US disclosed
US-20240067649-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2024-02-29 US disclosed
US-11827632-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2023-11-28 US disclosed
US-20220289736-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-09-15 US disclosed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
US-9168255-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-10-27 US disclosed
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-09-10 US disclosed
US-9045435-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-06-02 US disclosed
US-20130289044-A1 Quinazoline Compounds as Sodium Channel Blockers PURDUE PHARMA L.P. (US) 2013-10-31 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
EP-0546409-B1 Method for the preparation of tetrahydropyrancarboxylic esters BASF AG (DE) 1998-10-21 EP disclosed
EP-0546409-A1 Method for the preparation of tetrahydropyrancarboxylic esters BASF Aktiengesellschaft (DE) 1993-06-16 EP 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 (9 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-11827632-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 CA1 4083/4885CA2 2938/4885SLC1A3 3498/4885
US-20220289736-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 CA1 4083/4885CA2 2938/4885SLC1A3 3498/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CA1 396/4885CA2 1969/4885SLC1A3 69/4885
US-12351580-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 CA1 4083/4885CA2 2938/4885SLC1A3 3498/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 CA1 2581/4885CA2 1456/4885SLC1A3 1225/4885
US-20130289044-A1 Quinazoline Compounds as Sodium Channel Blockers SCN4A, TRPV1, SCN1B CA1 2074/4885CA2 397/4885SLC1A3 483/4885
US-20240067649-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 CA1 4083/4885CA2 2938/4885SLC1A3 3498/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CA1 1188/4885CA2 3827/4885SLC1A3 44/4885
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SCN4A, TRPV1, SCN1B CA1 2074/4885CA2 397/4885SLC1A3 483/4885

“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.