SCHEMBL52371

SCHEMBL52371

CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CC2CCN3CC2)S1(O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.35
TRPV1 Q8NER1 4/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR7 P34969 3/20 0.32
P2RX7 Q99572 3/20 0.31
HTR1A P08908 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL52370 0.95 KDM1A (0.34) KDM1ATRPV1MAOAMAOBHTR7
SCHEMBL52818 0.86 CYP2C9 (0.39) TRPV1P2RX7
SCHEMBL52140 0.86 P2RX7 (0.35) KDM1ATRPV1MAOAMAOBP2RX7
SCHEMBL51840 0.84 MYC (0.33) KDM1ATRPV1MAOAMAOBP2RX7
SCHEMBL51077 0.84 MYC (0.34) KDM1ATRPV1MAOAMAOBP2RX7
SCHEMBL52756 0.83 KDM1A (0.37) KDM1ATRPV1MAOAMAOBP2RX7
SCHEMBL51927 0.82 LMNA (0.46) L3MBTL1
SCHEMBL52819 0.81 CYP2C9 (0.38) TRPV1P2RX7
SCHEMBL52029 0.80 CYP1A2 (0.40)
SCHEMBL51724 0.73 KDM1A (0.36) KDM1AMAOAMAOB

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 5 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
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
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 KDM1A 748/4885TRPV1 4767/4885MAOA 1379/4885

“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.