SCHEMBL2801721

SCHEMBL2801721

O=C(O)N1CCC2(CNc3ccccc32)CC1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.39
PRNP P04156 1/20 0.38
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
ABCB1 P08183 1/20 0.35
OTUD7B Q6GQQ9 1/20 0.35
MC4R P32245 2/20 0.34
MC3R P41968 2/20 0.34
MC1R Q01726 2/20 0.34
TACR1 P25103 2/20 0.34
BACE1 P56817 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
ABHD6 Q9BV23 1/20 0.33

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
SCHEMBL5104471 0.76 ABCB1 (0.43) ABCB1MC4RMC3RMC1RCA1
SCHEMBL6523305 0.75 NR1H2 (0.43) AVPR1AHDAC1
SCHEMBL4270971 0.74 AVPR1A (0.54) AVPR1APRNPKCNH2HDAC1TNKS
SCHEMBL1222990 0.74 AVPR1A (0.54) AVPR1APRNPKCNH2HDAC1TNKS
SCHEMBL28474415 0.73 ABCB1 (0.42) ABCB1MC4RMC3RMC1RTACR1
SCHEMBL4270943 0.72 AVPR1A (0.49) AVPR1APRNPKCNH2HDAC1TNKS
SCHEMBL4270284 0.72 AVPR1A (0.49) AVPR1APRNPKCNH2HDAC1TNKS
SCHEMBL4270941 0.72 AVPR1A (0.49) AVPR1APRNPKCNH2HDAC1TNKS
SCHEMBL4270282 0.72 AVPR1A (0.49) AVPR1APRNPKCNH2HDAC1TNKS
SCHEMBL12715818 0.71 EGLN1 (0.47) AVPR1APRNPKCNH2HDAC1TNKS

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 4789/4885PRNP 2381/4885KCNH2 2531/4885

“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.