SCHEMBL8510254

SCHEMBL8510254

CCCN1CCC(COc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.45
HTR2B P41595 5/20 0.41
HTR4 Q13639 5/20 0.41
HTR7 P34969 4/20 0.41
HTR2A P28223 3/20 0.41
HTR1D P28221 2/20 0.41
HTR2C P28335 4/20 0.40
HTR3A P46098 4/20 0.40
HTR5A P47898 1/20 0.40
HTR1A P08908 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL8511150 0.92 GRM2 (0.46) GRM2
SCHEMBL8510125 0.89 GRM2 (0.48) GRM2
SCHEMBL8513676 0.87 GRM2 (0.43) GRM2HTR2BHTR4HTR2AHTR2C
SCHEMBL8512724 0.87 GRM2 (0.44) GRM2
SCHEMBL8512021 0.85 GRM2 (0.44) GRM2
SCHEMBL8508934 0.85 GRM2 (0.45) GRM2
SCHEMBL8511806 0.85 GRM2 (0.56) GRM2
SCHEMBL8512627 0.84 GRM2 (0.46) GRM2
SCHEMBL8513973 0.83 GRM2 (0.43) GRM2
SCHEMBL8511978 0.83 GRM2 (0.44) GRM2

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 1/4885HTR2B 222/4885HTR4 204/4885

“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.