SCHEMBL1108644

SCHEMBL1108644

Cc1ccc(N2CCCCCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.62
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
UBE2T Q9NPD8 1/20 0.50
GPR119 Q8TDV5 1/20 0.48
DHFR P00374 1/20 0.48
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD5 P21918 2/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL82447 1.00 CNR2 (0.62) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL806544 0.98 CNR2 (0.59) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31415358 0.98 CNR2 (0.59) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11988476 0.94 GRIN2D (0.56) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21424864 0.90 GRIN2D (0.59) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13115703 0.84 L3MBTL1 (0.52) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14853362 0.84 HRH3 (0.50) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12074540 0.84 HRH3 (0.50) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13724949 0.83 ALDH1A1 (0.57) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5235313 0.83 BPTF (0.58) CNR2GRIN2DGRIN3BGRIN1GRIN2A

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
EP-2118077-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-12-24 EP disclosed
US-8153628-B2 Pyrazolyl substituted xanthines FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-04-10 US disclosed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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 (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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CNR2 1549/4885GRIN2D 1719/4885GRIN3B 1584/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 CNR2 49/4885GRIN2D 969/4885GRIN3B 582/4885

“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.