SCHEMBL2802489

SCHEMBL2802489

CCOC(=O)c1cnn2c(O)c(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cnc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.46
AVPR1A P37288 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
STAT1 P42224 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL2801425 0.91 AVPR1A (0.47) NPY5RAVPR1ANPC1RAB9AKDM4E
SCHEMBL2801925 0.88 NPY5R (0.43) NPY5RAVPR1ANPC1RAB9AKDM4E
SCHEMBL2801452 0.86 NPY5R (0.45) NPY5RAVPR1ANPC1RAB9AKDM4E
SCHEMBL2802452 0.82 AVPR1A (0.44) AVPR1ANPC1RAB9AKDM4ENFKB1
SCHEMBL2802034 0.81 KDM4E (0.45) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL2801575 0.81 KDM4E (0.48) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL2799642 0.81 KDM4E (0.47) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL2801498 0.81 KDM4E (0.45) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL2799534 0.81 KDM4E (0.45) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL2800545 0.80 KDM4E (0.47) NPC1RAB9AKDM4ENFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 NPY5R 3423/4885AVPR1A 4789/4885NPC1 1787/4885

“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.