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SCHEMBL9897053

SCHEMBL9897053

CC(=O)N1CCN(Cc2cccnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 11/20 0.40
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 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
SCHEMBL9897925 0.89 GRM2 (0.43) GRM2KDM4EALDH1A1MAPTKMT2A
SCHEMBL9897544 0.89 GRM2 (0.44) GRM2CYP2D6KDM4EALDH1A1HTT
SCHEMBL9897691 0.88 GRM2 (0.42) GRM2KDM4EMAPT
SCHEMBL9895672 0.88 GRM2 (0.43) GRM2CYP2D6KDM4EALDH1A1HTT
SCHEMBL9895897 0.87 GRM2 (0.41) GRM2LTA4HKEAP1NFE2L2
SCHEMBL9896116 0.87 GRM2 (0.38) GRM2PDCD1LG2CD274KDM4EALDH1A1
SCHEMBL9895972 0.87 GRM2 (0.38) GRM2KDM4EALDH1A1KMT2A
SCHEMBL9895169 0.87 GRM2 (0.43) GRM2MAPTKEAP1NFE2L2
SCHEMBL9895323 0.87 GRM2 (0.43) GRM2ALDH1A1
SCHEMBL9895931 0.87 GRM2 (0.40) GRM2CYP2D6TSHRKDM4EHTT

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 1/4885CYP2D6 2110/4885TSHR 385/4885

“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.