SCHEMBL18655892

SCHEMBL18655892

Clc1ccc(Br)c(OCC2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.46
EP300 Q09472 3/20 0.36
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CDK2 P24941 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
HTR6 P50406 1/20 0.33
HTR4 Q13639 1/20 0.33
MCHR1 Q99705 2/20 0.33
KDM1A O60341 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL31470132 0.78 CNR2 (0.47) CNR2EP300
SCHEMBL18655893 0.76 CNR2 (0.49) CNR2EP300CDK2
SCHEMBL30657964 0.76 CNR2 (0.46) CNR2EP300CDK2
SCHEMBL17593199 0.75 HPGD (0.42) CRHBPCRHR2CDK2
SCHEMBL14152124 0.75 CNR2 (0.60) CNR2
SCHEMBL30785769 0.75 CNR2 (0.60) CNR2
SCHEMBL25176707 0.74 CNR2 (0.50) CNR2
SCHEMBL30010929 0.74 CNR2 (0.50) CNR2
SCHEMBL25347064 0.72 ALOX5AP (0.41) CNR2HTR2CHTR2BHTR3AHTR4
SCHEMBL31470086 0.72 CNR2 (0.60) CNR2

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
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
WO-2017046318-A1 TRIAZOLONES DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 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-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease OAT, XDH, MAPT CNR2 4598/4885EP300 3745/4885CRHBP 3851/4885

“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.