SCHEMBL6415124

SCHEMBL6415124

CC(=O)N(CCc1ccncc1)Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A4 P14672 2/20 0.47
SLC2A8 Q9NY64 1/20 0.47
MCHR1 Q99705 1/20 0.47
SLC2A1 P11166 3/20 0.47
LMNA P02545 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ROCK2 O75116 1/20 0.42
AOC3 Q16853 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL10399412 0.85 LMNA (0.56) MCHR1LMNAKDM4EGAAL3MBTL1
SCHEMBL6078000 0.79 LMNA (0.55) MCHR1LMNAALDH1A1MAPT
SCHEMBL6411633 0.79 CA12 (0.44) SLC2A4SLC2A8MCHR1SLC2A1LMNA
SCHEMBL6411634 0.79 CA12 (0.44) SLC2A4SLC2A8MCHR1SLC2A1LMNA
SCHEMBL6411621 0.78 LMNA (0.50) LMNAKDM4EGAAALDH1A1MAPT
SCHEMBL12638769 0.77 ROCK1 (0.51) MCHR1LMNATAAR1ALDH1A1ROCK1
SCHEMBL28740692 0.76 POLB (0.51) LMNAALDH1A1
SCHEMBL16682370 0.75 RCE1 (0.47) LMNAMAPT
SCHEMBL6414968 0.75 MCHR1 (0.51) MCHR1LMNA
SCHEMBL2092776 0.75 USP2 (0.59) LMNACYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1239472-C HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2006-02-01 CN disclosed
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
CN-1441775-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-09-10 CN disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 SLC2A4 4218/4885SLC2A8 4219/4885MCHR1 1820/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 SLC2A4 4106/4885SLC2A8 4274/4885MCHR1 1789/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 SLC2A4 4106/4885SLC2A8 4274/4885MCHR1 1789/4885

“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.