SCHEMBL3456290

SCHEMBL3456290

O=C(O)c1nnn(-c2ccccc2F)c1C1CCCO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
APLNR P35414 1/20 0.36
DHODH Q02127 8/20 0.36
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.36
SCN9A Q15858 1/20 0.36
PIM1 P11309 1/20 0.35
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3455921 0.90 TP53 (0.47) SMN1; SMN2ALDH1A1POLBHTT
SCHEMBL3758629 0.85 NPSR1 (0.49) SMN1; SMN2ALDH1A1POLB
SCHEMBL3455582 0.82 DHODH (0.41) ALDH1A1NPC1RAB9ADHODHHTT
Bicarbonate SCHEMBL3457190 0.82 NPSR1 (0.46) SMN1; SMN2ALDH1A1POLB
SCHEMBL3463266 0.82 HTT (0.41) ALDH1A1DHODHHTTNOTUM
SCHEMBL3456137 0.81 HTT (0.37) SMN1; SMN2ALDH1A1DHODHHTTNOTUM
SCHEMBL13765396 0.77 DRD2 (0.33) DRD2HTR2AHRH1APLNRDHODH
SCHEMBL9928680 0.75 TP53 (0.50) SMN1; SMN2ALDH1A1POLB
SCHEMBL10179481 0.75 MAPT (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AUSP2
SCHEMBL3456037 0.74 TP53 (0.47) SMN1; SMN2ALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 DRD2 519/4885HTR2A 4241/4885HRH1 298/4885

“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.