SCHEMBL2801452

SCHEMBL2801452

CCOC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cnc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.45
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AVPR1A P37288 1/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL2802390 0.91 NPY5R (0.47) NPY5RAVPR1ASIGMAR1
SCHEMBL2801925 0.89 NPY5R (0.43) NPY5RRAB9AAVPR1ANPC1MAPT
SCHEMBL2804011 0.87 NPY5R (0.42) NPY5RAVPR1ASIGMAR1
SCHEMBL2798942 0.87 CCNA2 (0.43) CCNA2CDK2ADORA1ADORA3ADORA2A
SCHEMBL2802489 0.86 NPY5R (0.46) NPY5RRAB9AAVPR1ANPC1MAPT
SCHEMBL2800913 0.86 CCNA2 (0.43) CCNA2CDK2ADORA1ADORA3ADORA2A
SCHEMBL2801425 0.85 AVPR1A (0.47) NPY5RRAB9AAVPR1ANPC1MAPT
SCHEMBL15698618 0.83 NPY5R (0.44) NPY5RCCNA2CDK2RAB9ANPSR1
SCHEMBL2801109 0.83 CCNA2 (0.43) CCNA2CDK2ADORA1ADORA3ADORA2A
SCHEMBL2801649 0.83 CCNA2 (0.43) CCNA2CDK2ADORA1ADORA3ADORA2A

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 3423/4885CCNA2 2900/4885CDK2 3692/4885

“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.