SCHEMBL1965677

SCHEMBL1965677

CC1(C(=O)O)CCC(N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.46
NPSR1 Q6W5P4 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
YTHDC1 Q96MU7 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
OPRM1 P35372 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
EBP Q15125 1/20 0.38

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
SCHEMBL27876478 1.00 CCR5 (0.46) CCR5NPSR1KDM4EATMTDP1
SCHEMBL31629952 1.00 CCR5 (0.46) CCR5NPSR1KDM4EATMTDP1
SCHEMBL29856880 1.00 CCR5 (0.46) CCR5NPSR1KDM4EATMTDP1
SCHEMBL19583039 0.93 CCR5 (0.44) CCR5NPSR1KDM4EATMTDP1
SCHEMBL25572115 0.89 NPSR1 (0.44) CCR5NPSR1KDM4EATMTDP1
SCHEMBL31630145 0.89 CCR5 (0.45) CCR5NPSR1KDM4EATMTDP1
SCHEMBL27987481 0.87 CCR5 (0.47) CCR5NPSR1KDM4EATMTDP1
SCHEMBL2339385 0.86 CCR5 (0.46) CCR5NPSR1KDM4EATMTDP1
SCHEMBL31630399 0.86 CCR5 (0.46) CCR5NPSR1KDM4EATMTDP1
SCHEMBL2339388 0.86 CCR5 (0.46) CCR5NPSR1KDM4EATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 CCR5 48/4885NPSR1 472/4885KDM4E 3611/4885

“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.