SCHEMBL1966381

SCHEMBL1966381

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
YTHDC1 Q96MU7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1H2 P55055 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 1.00 CCR5 (0.43) CCR5KDM4EATMNPSR1TDP1
SCHEMBL1963929 0.85 CCR5 (0.41) CCR5KDM4EATMNPSR1TDP1
SCHEMBL21458258 0.84 CCR5 (0.38) CCR5KDM4ENPSR1LMNANPC1
SCHEMBL2339385 0.83 CCR5 (0.46) CCR5KDM4EATMNPSR1TDP1
SCHEMBL2339388 0.83 CCR5 (0.46) CCR5KDM4EATMNPSR1TDP1
SCHEMBL12391690 0.83 CCR5 (0.43) CCR5KDM4EATMNPSR1TDP1
SCHEMBL31630399 0.83 CCR5 (0.46) CCR5KDM4EATMNPSR1TDP1
SCHEMBL9235731 0.81 CCR5 (0.48) CCR5KDM4EATMNPSR1TDP1
SCHEMBL20690478 0.79 CCR5 (0.43) CCR5KDM4EATMNPSR1TDP1
SCHEMBL29625003 0.78 HSD11B1 (0.49) AGERMTNR1A

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 48/4885KDM4E 3611/4885ATM 3448/4885

“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.