SCHEMBL2698005

SCHEMBL2698005

COc1ccc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
USP2 O75604 3/20 0.41
CYP2C9 P11712 3/20 0.41
MEN1 O00255 3/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
AADAT Q8N5Z0 1/20 0.41
SLC18A3 Q16572 1/20 0.41
CYP1A2 P05177 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.40
HTR7 P34969 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL2698004 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1KMT2AUSP2CYP2C9
SCHEMBL550797 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1KMT2AUSP2CYP2C9
SCHEMBL550796 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1KMT2AUSP2CYP2C9
SCHEMBL549738 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1KMT2AUSP2CYP2C9
SCHEMBL549739 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1KMT2AUSP2CYP2C9
SCHEMBL17074574 0.86 HSD11B1 (0.36) CYP3A4ALDH1A1KMT2AUSP2CYP2C9
SCHEMBL17074582 0.86 HSD11B1 (0.36) CYP3A4ALDH1A1KMT2AUSP2CYP2C9
SCHEMBL549448 0.86 AKR1C3 (0.48) CYP3A4ALDH1A1USP2CYP2C19AADAT
SCHEMBL549449 0.86 AKR1C3 (0.48) CYP3A4ALDH1A1USP2CYP2C19AADAT
SCHEMBL17082002 0.86 AKR1C3 (0.48) CYP3A4ALDH1A1USP2CYP2C19AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP claimed
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP claimed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US claimed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO claimed
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP disclosed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 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-20060116382-A1 Lactam compounds and their use as pharmaceuticals HSD11B1, HSD11B2, HSD17B1 CYP3A4 219/4885ALDH1A1 177/4885KMT2A 3165/4885

“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.