SCHEMBL5388445

SCHEMBL5388445

CC1(C)CCCn2c1nc(C(=O)NCc1ccc(F)cc1-n1cncn1)c(OCc1ccccc1)c2=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.39
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34
KCNT1 Q5JUK3 1/20 0.33
HCRTR1 O43613 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
KCNA5 P22460 1/20 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
SCHEMBL2528535 0.86 F2 (0.35) F2MYCWDR5
SCHEMBL5386317 0.86 PDE5A (0.36) MYCWDR5POLBLMNAKCNA5
SCHEMBL1379630 0.85 CYP2C9 (0.41) F2MYCWDR5HCRTR1
SCHEMBL4396323 0.84 F2 (0.35) F2KCNT1POLBTHRBLMNA
SCHEMBL4397521 0.84 KCNT1 (0.36) F2KCNT1POLBLMNAKCNA5
SCHEMBL4392377 0.84 CLPP (0.36) F2KCNT1POLBTHRBLMNA
SCHEMBL4036523 0.83 F2 (0.37) F2KCNT1HCRTR1POLBTHRB
SCHEMBL1378995 0.83 CYP2C9 (0.42) F2MYCWDR5HCRTR1
SCHEMBL4403363 0.83 F2 (0.34) F2KCNT1LMNAKCNA5
SCHEMBL5392599 0.82 MAPT (0.36) POLBLMNAKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749008-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-07 EP disclosed
US-7173022-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173022-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173022-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
WO-2005118590-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050267131-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-20050267131-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C F2 1623/4885MYC 614/4885WDR5 1755/4885

“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.