SCHEMBL8922504

SCHEMBL8922504

O=C1CCC(c2ccc(Cl)cc2)c2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 6/20 0.50
CRBN Q96SW2 6/20 0.50
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
SLC8B1 Q6J4K2 1/20 0.41
PRCP P42785 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL3053841 0.88 DDB1 (0.65) DDB1CRBNMAPTTSHRNPC1
SCHEMBL8920289 0.85 CRBN (0.50) DDB1CRBNTP53PRCPNPC1
SCHEMBL8920781 0.85 CRBN (0.52) DDB1CRBNPRCPNPC1MAPK13
SCHEMBL880444 0.85 TP53 (0.59) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL8922817 0.85 SLC6A2 (0.51) DDB1CRBNTP53MAPTCYP1A2
SCHEMBL8920256 0.85 LMNA (0.54) DDB1CRBNTP53MAPTCYP1A2
SCHEMBL8922488 0.83 DDB1 (0.55) DDB1CRBNTP53MAPTCYP1A2
SCHEMBL8102823 0.82 DDB1 (0.48) DDB1CRBNTP53MAPTCYP1A2
SCHEMBL7827796 0.78 CRBN (0.70) DDB1CRBN
SCHEMBL8919304 0.77 HTR2A (0.40) TP53

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-9663523-B2 BET protein-inhibiting 5-aryltriazoleazepines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
EP-2900672-B1 BET-PROTEIN INHIBITORY 5-ARYL-TRIAZOLO-AZEPINES Bayer Pharma AG (DE) 2017-02-22 EP disclosed
US-20150299201-A1 BET PROTEIN-INHIBITING 5-ARYL TRIAZOLE AZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-22 US disclosed
EP-2900672-A1 BET PROTEIN-INHIBITING 5-ARYL TRIAZOLE AZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-08-05 EP disclosed
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO 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-20150299201-A1 BET PROTEIN-INHIBITING 5-ARYL TRIAZOLE AZEPINES BRD4, BRDT, BET1 DDB1 323/4885CRBN 585/4885TP53 851/4885

“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.