SCHEMBL5630012

SCHEMBL5630012

O=C1N([C@H]2CC[C@@H](O)CC2)CCC12CCN(c1cncc(Cl)n1)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD11B1 P28845 5/20 0.40
HCRTR2 O43614 3/20 0.35
HCRTR1 O43613 2/20 0.35

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
SCHEMBL4722035 1.00 KDM4E (0.44) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4722855 0.81 HCRTR2 (0.47) KDM4EHTR1AHCRTR2
SCHEMBL5629477 0.81 HCRTR2 (0.47) KDM4EHTR1AHCRTR2
SCHEMBL5632593 0.79 HSD11B1 (0.47) HTR1AHTR2AHTR2CHSD11B1
SCHEMBL4724250 0.79 HSD11B1 (0.47) HTR1AHTR2AHTR2CHSD11B1
SCHEMBL3507090 0.77 MEN1 (0.60) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5630418 0.74 HSD11B1 (0.39) HSD11B1HCRTR2HCRTR1
SCHEMBL4763251 0.74 HRH3 (0.43) HSD11B1HCRTR2HCRTR1
SCHEMBL4720378 0.74 HSD11B1 (0.39) HSD11B1HCRTR2HCRTR1
SCHEMBL5629345 0.74 LCAT (0.43) HSD11B1HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US claimed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 US claimed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
WO-2007067504-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-06-14 WO disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 US disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 US disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 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-20070129345-A1 Lactam compounds and methods of using the same HSD11B1, HSD17B11, HSD17B1 KDM4E 2888/4885MEN1 748/4885ALDH1A1 94/4885

“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.