SCHEMBL1944080

SCHEMBL1944080

COc1ccccc1C1CCC(=O)C=C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
CFTR P13569 1/20 0.45
GOPC Q9HD26 1/20 0.45
HTR2C P28335 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
POLL Q9UGP5 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL12563659 0.84 HTR2C (0.40) CYP19A1HTR2CMEN1KMT2AALDH1A1
SCHEMBL1944621 0.82 HTR2C (0.44) CYP19A1HTR2CMEN1KMT2AUSP2
SCHEMBL1945261 0.81 HTR2C (0.38) CYP19A1HTR2CMEN1KMT2AALDH1A1
SCHEMBL1945260 0.81 HTR2C (0.38) CYP19A1HTR2CMEN1KMT2AALDH1A1
SCHEMBL7501162 0.79 CYP19A1 (0.45) CYP19A1HTR2CMEN1KMT2AALDH1A1
SCHEMBL7969548 0.79 CYP19A1 (0.45) CYP19A1HTR2CMEN1KMT2AALDH1A1
SCHEMBL12539690 0.77 CFTR (0.69) CYP19A1CFTRGOPCKMT2AALDH1A1
SCHEMBL8088303 0.75 GAA (0.53) CYP19A1HTR2CMEN1KMT2AALDH1A1
SCHEMBL10725754 0.72 CYP19A1 (0.52) CYP19A1HTR2CMEN1KMT2AUSP2
SCHEMBL512007 0.71 CYP19A1 (0.48) CYP19A1HTR2CMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507215-A1 DIPHENYL AZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
WO-2011067219-A1 DIPHENYL AZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110136787-A1 DIPHENYL AZEPANE, DIAZEPANE AND OXAZEPANE DERIVATIVES AND USES THEREOF SCHOENFELD RYAN CRAIG 2011-06-09 US disclosed
US-20110136787-A1 DIPHENYL AZEPANE, DIAZEPANE AND OXAZEPANE DERIVATIVES AND USES THEREOF SCHOENFELD RYAN CRAIG 2011-06-09 US disclosed
US-20110136787-A1 DIPHENYL AZEPANE, DIAZEPANE AND OXAZEPANE DERIVATIVES AND USES THEREOF SCHOENFELD RYAN CRAIG 2011-06-09 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-20110136787-A1 DIPHENYL AZEPANE, DIAZEPANE AND OXAZEPANE DERIVATIVES AND USES THEREOF PTGDR2, PTGDR, TBXA2R CYP19A1 219/4885CFTR 2667/4885GOPC 1622/4885

“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.