SCHEMBL5536029

SCHEMBL5536029

CN1C(=O)CCn2c1nc(C(=O)NCc1ccc(Cl)c(Cl)c1)c(O)c2=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.45
CNR2 P34972 10/20 0.45
HPGD P15428 1/20 0.43
P2RX7 Q99572 1/20 0.42
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2C9 P11712 1/20 0.41
WDR5 P61964 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL5534536 0.92 KCNH2 (0.42) CNR1CNR2KCNH2CYP2C9WDR5
SCHEMBL5536094 0.90 WDR5 (0.45) CNR1CNR2HPGDP2RX7LIPC
SCHEMBL5536861 0.87 KCNH2 (0.41) KCNH2CYP2C9WDR5TSHR
SCHEMBL5533765 0.85 KCNH2 (0.54) LIPGKCNH2CYP2C9
SCHEMBL5532098 0.85 MMP13 (0.45) KCNH2CYP2C9WDR5
SCHEMBL5650530 0.83 CNR1 (0.43) CNR1CNR2HPGDP2RX7LIPC
SCHEMBL5539660 0.82 KCNH2 (0.42) CNR2KCNH2CYP2C9WDR5
SCHEMBL5548527 0.80 CNR1 (0.43) CNR1CNR2HPGD
SCHEMBL6094568 0.79 LMNA (0.51) CNR1CNR2HPGD
SCHEMBL5531062 0.78 CNR1 (0.42) CNR1CNR2HPGDP2RX7LIPG

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
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP claimed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO claimed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP disclosed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C CNR1 2406/4885CNR2 3283/4885HPGD 218/4885

“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.