SCHEMBL52389

SCHEMBL52389

CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2cccc(-n3cccc3)c2)c(O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.35
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
CALCA P06881 1/20 0.30
MAPT P10636 1/20 0.30
METTL3 Q86U44 1/20 0.30
METTL14 Q9HCE5 1/20 0.30

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
SCHEMBL52548 0.89 CYP2C9 (0.39) CYP2C9KCNH2CALCA
SCHEMBL62751 0.89 CYP2C9 (0.47) CYP2C9KCNH2CALCAMAPT
SCHEMBL63541 0.89 CYP2C9 (0.40) CYP2C9KCNH2MAPT
SCHEMBL52993 0.89 CYP2C9 (0.38) CYP2C9KCNH2
SCHEMBL53142 0.89 CYP2C9 (0.45) CYP2C9KCNH2CALCA
SCHEMBL63590 0.88 LIPG (0.42) CYP2C9KCNH2LIPGCALCA
SCHEMBL64287 0.88 KMT2A (0.42) CYP2C9MAPT
SCHEMBL64597 0.85 CYP2C9 (0.47) CYP2C9KCNH2
SCHEMBL13691823 0.85 ABCB1 (0.41) CYP2C9
SCHEMBL63517 0.85 CYP2C9 (0.42) CYP2C9KCNH2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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 (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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885KCNH2 3969/4885CNR1 4621/4885

“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.