Sugi Predict

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SCHEMBL9895972

SCHEMBL9895972

CC(=O)N1CCN(Cc2cc(F)cnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 11/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MTNR1B P49286 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ MET P08581 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
SCHEMBL9895567 0.97 GRM2 (0.36) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9896479 0.91 GRM2 (0.36) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9895292 0.91 GRM2 (0.36) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9897923 0.91 GRM2 (0.36) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9896116 0.91 GRM2 (0.38) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9895038 0.88 GRM2 (0.39) GRM2KDM4EMAPK14CCNT1CDK9
SCHEMBL9895801 0.88 GRM2 (0.36) GRM2MEN1KMT2AMET
SCHEMBL9895213 0.88 NPC1 (0.38) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9895283 0.87 GRM2 (0.39) GRM2CCNT1CDK9
SCHEMBL9895282 0.87 GRM2 (0.39) 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-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.