SCHEMBL17557526

SCHEMBL17557526

CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc3ccc(Br)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.55
▸ CNR1 P21554 4/20 0.52
▸ DNMT3A Q9Y6K1 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ EHMT2 Q96KQ7 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM1A O60341 1/20 0.50
▸ RCOR1 Q9UKL0 1/20 0.50
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ USP30 Q70CQ3 1/20 0.48
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ GPR119 Q8TDV5 3/20 0.45
▸ CNR2 P34972 2/20 0.45

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
SCHEMBL9911789 0.87 NSD2 (0.53) NSD2CNR1DNMT3AALDH1A1EHMT2
SCHEMBL17557550 0.86 EHMT2 (0.47) NSD2CNR1ALDH1A1EHMT2HTT
SCHEMBL17557797 0.85 CNR1 (0.73) NSD2CNR1DNMT3AALDH1A1EHMT2
SCHEMBL30902132 0.85 IRAK4 (0.65) NSD2ALDH1A1IRAK4PIK3CDPIK3CA
SCHEMBL31029626 0.85 IRAK4 (0.65) NSD2ALDH1A1IRAK4PIK3CDPIK3CA
SCHEMBL1748471 0.84 NSD2 (0.76) NSD2CNR1DNMT3AALDH1A1EHMT2
SCHEMBL29613418 0.84 NSD2 (0.76) NSD2CNR1DNMT3AALDH1A1EHMT2
SCHEMBL9911806 0.83 NSD2 (0.50) NSD2CNR1DNMT3AALDH1A1EHMT2
SCHEMBL29822985 0.83 DNMT3A (0.49) NSD2CNR1DNMT3AALDH1A1EHMT2
SCHEMBL2331519 0.82 BTK (0.52) NSD2CNR1DNMT3AALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 — — US disclosed
WO-2016040081-A1 QUINAZOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 — — WO disclosed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 — — 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-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists CNR1, CNR2, GPR119 NSD2 4291/4885CNR1 1/4885DNMT3A 4752/4885

“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.

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