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SCHEMBL9897638

SCHEMBL9897638

CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc(F)cnc3Oc3ccc4c(nnn4CC4CC4)c3Br)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.35
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MGLL Q99685 2/20 0.33
▸ SCD5 Q86SK9 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GPR183 P32249 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ PARP1 P09874 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
SCHEMBL9896603 0.96 GPR119 (0.34) RORCHDAC2HDAC1GPR119CDK9
SCHEMBL9895488 0.94 CYP2D6 (0.34) RORCHDAC1CYP3A4CYP2D6ALDH1A1
SCHEMBL9896556 0.86 CYP2D6 (0.40) CYP3A4CYP2D6ALDH1A1CYP1A2TSHR
SCHEMBL9895107 0.85 MEN1 (0.36) CDK9CYP3A4CYP2D6TSHRGRM2
SCHEMBL9895896 0.84 PTGDR2 (0.36) RORCGPR119GRM2
SCHEMBL9895745 0.84 PTGDR2 (0.36) RORCGPR119GRM2
SCHEMBL9894716 0.82 CYP2D6 (0.39) RORCCYP3A4CYP2D6CYP1A2TSHR
SCHEMBL9895292 0.82 GRM2 (0.36) ALDH1A1MGLLGRM2MEN1KMT2A
SCHEMBL9895898 0.82 GRM2 (0.34) GRM2
SCHEMBL9895746 0.82 GRM2 (0.34) 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 RORC 483/4885HDAC2 301/4885HDAC1 912/4885

“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.