SCHEMBL2473191

SCHEMBL2473191

CCOC(=O)c1nn(C)c2c1CCC(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
CCNA1 P78396 3/20 0.38
CDK4 P11802 2/20 0.38
CCND3 P30281 2/20 0.38
CDK6 Q00534 1/20 0.38
OPRM1 P35372 1/20 0.37
ACHE P22303 1/20 0.37
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
GABRA1 P14867 2/20 0.34

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
SCHEMBL2470457 0.86 OPRM1 (0.39) CCNA2CDK2CCNA1OPRM1ACHE
SCHEMBL13262831 0.85 SYK (0.35) OPRM1ACHECACNA1GCACNA1HCACNA1I
SCHEMBL2474886 0.85 OPRM1 (0.36) CCNA2CDK2CCNA1OPRM1ACHE
SCHEMBL11901071 0.81 CCNA2 (0.40) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL2534722 0.81 ACHE (0.34) CCNA2CDK2CCNA1OPRM1ACHE
SCHEMBL2473696 0.81 ALDH1A1 (0.53) OPRM1ALDH1A1KDM4EHPGDTP53
SCHEMBL2473575 0.81 PDE4A (0.40) CCNA2CDK2CCNA1OPRM1ACHE
SCHEMBL3797225 0.79 GRM5 (0.47) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL16496482 0.79 MAP3K14 (0.34) CACNA1GCACNA1HCACNA1IALDH1A1HPGD
SCHEMBL3797319 0.79 GRM5 (0.44) CCNA2CDK2CCNA1CDK4CCND3

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
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2366702-A1 New oxadiazole derivatives Almirall, S.A. (ES) 2011-09-21 EP disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 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 (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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 CCNA2 4274/4885CDK2 3451/4885CCNA1 4103/4885

“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.