SCHEMBL2801925

SCHEMBL2801925

CCOC(=O)c1cnn2c(Cc3ccccc3)c(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cnc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.43
AVPR1A P37288 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
STAT1 P42224 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD11B1 P28845 2/20 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
SCHEMBL2801452 0.89 NPY5R (0.45) NPY5RAVPR1ANPC1RAB9ANFKB1
SCHEMBL2802489 0.88 NPY5R (0.46) NPY5RAVPR1ANPC1RAB9ANFKB1
SCHEMBL2801425 0.87 AVPR1A (0.47) NPY5RAVPR1ANPC1RAB9ANFKB1
SCHEMBL15698618 0.79 NPY5R (0.44) NPY5RAVPR1ARAB9ASMN1; SMN2MAPT
SCHEMBL2802390 0.79 NPY5R (0.47) NPY5RAVPR1ASIGMAR1
SCHEMBL2798942 0.76 CCNA2 (0.43) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL2804011 0.76 NPY5R (0.42) NPY5RAVPR1ASIGMAR1
SCHEMBL2800913 0.74 CCNA2 (0.43) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL15698619 0.73 NPY5R (0.44) NPY5RSMN1; SMN2KDM4ESIGMAR1ALDH1A1
SCHEMBL11840173 0.71 HRH3 (0.55) NPY5RAVPR1ASIGMAR1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.