SCHEMBL2801425

SCHEMBL2801425

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.47
NPY5R Q15761 11/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
MAPT P10636 1/20 0.42
HSD11B1 P28845 4/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
STAT1 P42224 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2802489 0.91 NPY5R (0.46) AVPR1ANPY5RNPC1RAB9AKDM4E
SCHEMBL2801925 0.87 NPY5R (0.43) AVPR1ANPY5RNPC1RAB9AKDM4E
SCHEMBL2801452 0.85 NPY5R (0.45) AVPR1ANPY5RNPC1RAB9AKDM4E
SCHEMBL2801299 0.82 AVPR1A (0.47) AVPR1ANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2800441 0.82 KDM4E (0.45) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2801942 0.81 KDM4E (0.47) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2801873 0.81 KDM4E (0.44) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2800623 0.81 KDM4E (0.46) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2799664 0.81 MCHR2 (0.44) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2801589 0.80 KDM4E (0.47) NPC1RAB9AKDM4ESMN1; SMN2NFKB1

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 AVPR1A 4789/4885NPY5R 3423/4885NPC1 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.