SCHEMBL2700329

SCHEMBL2700329

O=C(c1cccnc1)N1CCCC2(CCN([C@H]3CC[C@H](O)CC3)C2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
VNN1 O95497 4/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
GAA P10253 1/20 0.41
KLK7 P49862 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
CHRM2 P08172 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL2700332 1.00 ALDH1A1 (0.44) ALDH1A1HTTVNN1CHRNB2CHRNB4
SCHEMBL550595 0.93 ALDH1A1 (0.47) ALDH1A1HTTVNN1CHRNB2CHRNB4
SCHEMBL2700036 0.88 CYP3A4 (0.49) ALDH1A1MAPK1KDM4E
SCHEMBL2700037 0.88 CYP3A4 (0.49) ALDH1A1MAPK1KDM4E
SCHEMBL550388 0.87 DDB1 (0.49) ALDH1A1HPGDPOLBKDM4E
SCHEMBL550389 0.87 DDB1 (0.49) ALDH1A1HPGDPOLBKDM4E
SCHEMBL549127 0.81 KDM4E (0.50) ALDH1A1KDM4E
SCHEMBL550240 0.79 KDM4E (0.50) ALDH1A1HPGDPOLBEPHX2KDM4E
SCHEMBL3643325 0.76 HSD11B1 (0.39)
SCHEMBL2700492 0.76 HSD11B1 (0.39)

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-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP claimed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US 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 ALDH1A1 177/4885HTT 4706/4885VNN1 982/4885

“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.