SCHEMBL3733588

SCHEMBL3733588

CC(C)CCn1c(CO)nc2cc(CN)ccc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.51
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL31069471 0.85 POLB (0.46)
SCHEMBL6247270 0.82 MAPK1 (0.50) CNR2TSHRMAPK1BCHEACHE
SCHEMBL7745731 0.82 TSHR (0.50) CNR2TSHRMAPK1BCHEACHE
SCHEMBL2875385 0.81 CNR2 (0.49) CNR2BCHEACHE
SCHEMBL6242299 0.81 POLB (0.44) MAPK1
SCHEMBL6243865 0.80 BCHE (0.48) CNR2TSHRMAPK1BCHEACHE
SCHEMBL13041654 0.80 TSHR (0.48) CNR2TSHRMAPK1BCHEACHE
SCHEMBL3731009 0.79 CNR2 (0.47) CNR2TSHRMAPK1BCHEACHE
SCHEMBL6243978 0.79 BCHE (0.58) CNR2BCHEACHE
SCHEMBL3740314 0.79 TSHR (0.41) CNR2TSHRMAPK1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 WO disclosed
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 CNR2 2323/4885TSHR 548/4885MAPK1 2919/4885
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 CNR2 4156/4885TSHR 3860/4885MAPK1 4347/4885

“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.