SCHEMBL3661730

SCHEMBL3661730

COc1ccc(Br)c(CCN)c1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
ADRA1A P35348 1/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
APEX1 P27695 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.38
GLA P06280 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
SCHEMBL17221447 0.85 CD274 (0.38) TAAR1HTR2AHTR2CKDM4EATM
SCHEMBL17253669 0.84 ALDH1A1 (0.37) HTR2AKDM4ECYP1A2GLA
SCHEMBL17232489 0.79 NQO2 (0.39) KDM4ETSHRCYP1A2LMNAMEN1
SCHEMBL17221218 0.78 ERN1 (0.40) KDM4ECYP1A2LMNA
SCHEMBL17442892 0.78 NQO2 (0.38) KDM4ETSHRCYP1A2LMNAMEN1
SCHEMBL17221818 0.78 NQO2 (0.38) KDM4ETSHRCYP1A2LMNAMEN1
SCHEMBL149431 0.76 TAAR1 (0.52) TAAR1HTR2AHTR2CKDM4EATM
SCHEMBL17229314 0.75 HTR2A (0.37) TAAR1HTR2A
SCHEMBL3661611 0.74 MTNR1A (0.44) KMT2A
SCHEMBL17221392 0.72 CD274 (0.42) TAAR1KDM4EATMADRA1ATSHR

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
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
EP-2222671-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
WO-2009080728-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080728-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 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-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 TAAR1 2068/4885HTR2A 1702/4885HTR2C 2092/4885

“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.