SCHEMBL9905191

SCHEMBL9905191

CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(-c2ncc(Cc3ccc(F)cc3)o2)c(OCc2ccccc2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
MAOA P21397 1/20 0.31
RIPK1 Q13546 2/20 0.31
PREP P48147 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9921568 0.90 MMP1 (0.31)
SCHEMBL9921579 0.88 CYP2C9 (0.35) CNR2
SCHEMBL9905364 0.80 MAPT (0.35) CNR2MAOARIPK1ALDH1A1HPGD
SCHEMBL9905183 0.79 CNR2 (0.34) CNR2MAOARIPK1PREPALDH1A1
SCHEMBL9905158 0.79 CYP2C9 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL14214195 0.79 PRSS1 (0.35) CNR2MAOARIPK1ALDH1A1HPGD
SCHEMBL14214196 0.77 CNR2 (0.35) CNR2MAOAPREPALDH1A1MEN1
SCHEMBL64360 0.77 CYP2C9 (0.40) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9905386 0.77 CYP2C9 (0.35) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL9905201 0.76 CYP2C9 (0.35) CNR2RIPK1HPGDSMN1; SMN2

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
US-8846659-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8846659-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
EP-2649074-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 EP disclosed
US-20120309745-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309745-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078844-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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-20120309745-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CNR2 4810/4885MAOA 1379/4885RIPK1 2076/4885

“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.