SCHEMBL8510376

SCHEMBL8510376

O=C(c1ccon1)N1CCN(CCCOc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
GRM2 Q14416 10/20 0.36
CHRNA4 P43681 1/20 0.34
DRD2 P14416 1/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8510166 0.87 GRM2 (0.39) RAB9ANPC1GRM2CHRNA4
SCHEMBL8513688 0.85 GRM2 (0.41) GRM2KDM4E
SCHEMBL8508941 0.82 GRM2 (0.39) GRM2KDM4E
SCHEMBL8512001 0.81 EPHX2 (0.43) GRM2
SCHEMBL9895213 0.80 NPC1 (0.38) RAB9ANPC1GRM2KMT2AKDM4E
SCHEMBL8512264 0.80 DRD3 (0.45) GRM2KMT2AKDM4ETDP1
SCHEMBL8514949 0.80 GRM2 (0.43) GRM2KMT2AKDM4ELMNA
SCHEMBL8512726 0.80 KDM4E (0.46) GRM2KDM4E
SCHEMBL8512847 0.80 GRM2 (0.46) RAB9ANPC1GRM2KDM4E
SCHEMBL8514943 0.78 GRM2 (0.43) GRM2KMT2AKDM4ELMNA

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 RAB9A 4168/4885NPC1 2352/4885GRM2 1/4885

“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.