SCHEMBL9896141

SCHEMBL9896141

FC1(Cc2ccccc2)CCN(Cc2cccnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.38
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KEAP1 Q14145 6/20 0.32
NFE2L2 Q16236 6/20 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
SCHEMBL9895971 0.89 GRM2 (0.41) GRM2KEAP1NFE2L2
SCHEMBL9897470 0.87 GRM2 (0.42) GRM2KEAP1NFE2L2
SCHEMBL9895293 0.86 GRM2 (0.40) GRM2KEAP1NFE2L2
SCHEMBL9895897 0.86 GRM2 (0.41) GRM2KEAP1NFE2L2
SCHEMBL9897544 0.86 GRM2 (0.44) GRM2KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL9895461 0.86 GRM2 (0.39) GRM2KEAP1NFE2L2
SCHEMBL9895672 0.85 GRM2 (0.43) GRM2KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL9895240 0.84 OPRL1 (0.42) GRM2
SCHEMBL9895323 0.84 GRM2 (0.43) GRM2
SCHEMBL9897925 0.84 GRM2 (0.43) GRM2MEN1KMT2AKDM4EMAPT

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-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885MEN1 4800/4885KMT2A 327/4885

“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.