SCHEMBL8513376

SCHEMBL8513376

O=C1CN(CCCOc2ccc3c(nnn3CC3CC3)c2Br)CCN1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
THRB P10828 2/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL8512492 0.95 GRM2 (0.42) GRM2JAK2JAK1TYK2THRB
SCHEMBL8509663 0.89 GRM2 (0.45) GRM2HRH3
SCHEMBL8509457 0.86 GRM2 (0.42) GRM2
SCHEMBL8511666 0.84 GRM2 (0.46) GRM2
SCHEMBL8512496 0.84 GRM2 (0.43) GRM2JAK2JAK1TYK2
SCHEMBL8512847 0.83 GRM2 (0.46) GRM2HRH3
SCHEMBL8513355 0.82 GRM2 (0.46) GRM2HRH3
SCHEMBL8513167 0.82 GRM2 (0.46) GRM2HRH3
SCHEMBL8514943 0.82 GRM2 (0.43) GRM2JAK2JAK1TYK2HRH3
SCHEMBL8512726 0.82 KDM4E (0.46) GRM2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US claimed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US claimed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US 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-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885JAK2 974/4885JAK1 2403/4885

“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.