SCHEMBL3282162

SCHEMBL3282162

COC(=O)c1cccc(N2CCC(NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.51
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
SUV39H2 Q9H5I1 2/20 0.47
GPR119 Q8TDV5 2/20 0.47
CNR1 P21554 1/20 0.45
DRD2 P14416 2/20 0.45
GAA P10253 1/20 0.45
NAMPT P43490 1/20 0.45
KCNA3 P22001 1/20 0.44
DRD3 P35462 1/20 0.44
NPY5R Q15761 1/20 0.44
NPC1 O15118 1/20 0.44
VCP P55072 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL15609755 0.87 BTK (0.53) KDM4DSUV39H2
SCHEMBL2070091 0.87 BTK (0.53) KDM4DSUV39H2
SCHEMBL20129612 0.86 MTNR1A (0.56) CKS1BSKP1SKP2SUV39H2GPR119
SCHEMBL5203538 0.86 ALDH1A1 (0.51) KDM4DCKS1BSKP1SKP2SUV39H2
SCHEMBL27665084 0.85 KDM4D (0.46) KDM4DCKS1BSKP1SKP2SUV39H2
SCHEMBL26452282 0.85 CKS1B (0.51) CKS1BSKP1SKP2SUV39H2GPR119
SCHEMBL32665304 0.85 CKS1B (0.51) CKS1BSKP1SKP2SUV39H2GPR119
SCHEMBL904006 0.84 NPY5R (0.53) CKS1BSKP1SKP2SUV39H2GPR119
SCHEMBL30930945 0.84 NPY5R (0.53) CKS1BSKP1SKP2SUV39H2GPR119
SCHEMBL3280488 0.83 CKS1B (0.48) KDM4DCKS1BSKP1SKP2SUV39H2

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-7998969-B2 enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases ROCHE PALO ALTO LLC (US) 2011-08-16 US disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-06-19 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 KDM4D 3881/4885CKS1B 3848/4885SKP1 497/4885
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors NQO2, SAMHD1, POLR2A KDM4D 1302/4885CKS1B 569/4885SKP1 3737/4885

“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.