SCHEMBL52565

SCHEMBL52565

CN1CCN(c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2O)CC2CCN3CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.38
P2RX7 Q99572 13/20 0.37
NTRK1 P04629 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SLC22A2 O15244 2/20 0.32

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
SCHEMBL53230 0.90 CYP2C9 (0.37) CYP2C9KCNH2P2RX7
SCHEMBL52140 0.86 P2RX7 (0.35) P2RX7TRPV1
SCHEMBL52818 0.84 CYP2C9 (0.39) CYP2C9KCNH2P2RX7TRPV1SLC22A2
SCHEMBL52802 0.83 CYP2C9 (0.39) CYP2C9KCNH2P2RX7TRPV1
SCHEMBL52158 0.83 CYP2C9 (0.39) CYP2C9KCNH2P2RX7SLC22A2
SCHEMBL52819 0.83 CYP2C9 (0.38) CYP2C9KCNH2P2RX7TRPV1SLC22A2
SCHEMBL13691740 0.80 CYP2C9 (0.42) CYP2C9KCNH2P2RX7TRPV1SLC22A2
SCHEMBL51960 0.80 KCNH2 (0.54) CYP2C9KCNH2
SCHEMBL2957304 0.78 CYP2C9 (0.39) CYP2C9KCNH2P2RX7SLC22A2
SCHEMBL52756 0.77 KDM1A (0.37) CYP2C9P2RX7TRPV1

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 7 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
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

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 3969/4885P2RX7 3911/4885

“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.