SCHEMBL1963929

SCHEMBL1963929

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
C5AR1 P21730 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL1966380 0.85 CCR5 (0.43) CCR5MEN1KMT2AKDM4EATM
SCHEMBL1966381 0.85 CCR5 (0.43) CCR5MEN1KMT2AKDM4EATM
SCHEMBL21496923 0.81 YTHDC1 (0.39) CCR5MEN1KMT2AKDM4EATM
SCHEMBL29856880 0.79 CCR5 (0.46) CCR5MEN1KMT2AKDM4EATM
SCHEMBL27876478 0.79 CCR5 (0.46) CCR5MEN1KMT2AKDM4EATM
SCHEMBL1965677 0.79 CCR5 (0.46) CCR5MEN1KMT2AKDM4EATM
SCHEMBL31629952 0.79 CCR5 (0.46) CCR5MEN1KMT2AKDM4EATM
Hydrochloric Acid SCHEMBL9235596 0.77 CCR5 (0.44) CCR5MEN1KMT2AKDM4EATM
SCHEMBL19583039 0.76 CCR5 (0.44) CCR5MEN1KMT2AKDM4EATM
SCHEMBL1543700 0.75 KDM4E (0.41) CCR5MEN1KMT2AKDM4EATM

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 48/4885MEN1 2929/4885KMT2A 4427/4885

“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.