SCHEMBL3757129

SCHEMBL3757129

OC1CCN(Cc2cccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.42
PDCD1 Q15116 4/20 0.37
CD274 Q9NZQ7 4/20 0.37
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ACHE P22303 1/20 0.35
TP53 P04637 3/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MTOR P42345 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
SCHEMBL3761101 0.92 S1PR1 (0.41) S1PR1NPC1RAB9A
SCHEMBL10182765 0.91 S1PR1 (0.44) S1PR1NPC1LMNARAB9AALDH1A1
SCHEMBL10179130 0.88 S1PR1 (0.46) S1PR1NPC1LMNARAB9AALDH1A1
SCHEMBL10182666 0.88 S1PR1 (0.46) S1PR1NPC1LMNARAB9AALDH1A1
SCHEMBL3750984 0.87 S1PR1 (0.41) S1PR1NPC1LMNARAB9AALDH1A1
SCHEMBL3757179 0.87 S1PR1 (0.45) S1PR1NPC1LMNARAB9AALDH1A1
Formic Acid SCHEMBL3756147 0.86 S1PR1 (0.45) S1PR1NPC1LMNARAB9AALDH1A1
SCHEMBL3762551 0.85 S1PR1 (0.43) S1PR1NPC1RAB9A
SCHEMBL3757116 0.84 S1PR1 (0.49) S1PR1NPC1LMNARAB9AALDH1A1
SCHEMBL3748523 0.84 S1PR1 (0.41) S1PR1NPC1LMNARAB9AALDH1A1

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
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
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 S1PR1 517/4885PDCD1 15/4885CD274 7/4885

“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.