SCHEMBL2801668

SCHEMBL2801668

CC(C)(C)C1N(C(=O)O)c2ccccc2C12CCNCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.40
KDM1A O60341 1/20 0.38
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRM1 P35372 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
P2RY1 P47900 1/20 0.31
HRH1 P35367 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL16860896 0.71 KDM1A (0.37) NOTUMKDM1AMAPK1NPSR1OPRM1
SCHEMBL16860861 0.70 NOTUM (0.36) NOTUMKDM1AMAPK1NPSR1OPRM1
SCHEMBL17256636 0.69 KDM1A (0.47) NOTUMKDM1AMAPK1SIGMAR1
SCHEMBL16860873 0.68 HRH1 (0.35) NOTUMKDM1AMAPK1NPSR1DPP9
SCHEMBL16860797 0.68 P2RY1 (0.37) NOTUMKDM1AMAPK1NPSR1SIGMAR1
SCHEMBL16861147 0.68 P2RY1 (0.33) NOTUMKDM1ADPP9DPP7P2RY1
SCHEMBL1572534 0.67 NOTUM (0.63) NOTUMP2RY1
SCHEMBL30232786 0.67 NOTUM (0.63) NOTUMP2RY1
Hydrochloric Acid SCHEMBL1747690 0.67 NOTUM (0.34) NOTUMOPRM1SIGMAR1CYP1A2CYP2D6
SCHEMBL16539832 0.66 HTR2C (0.43) KDM1AMAPK1

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 NOTUM 537/4885KDM1A 1362/4885MAPK1 389/4885

“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.