SCHEMBL2801254

SCHEMBL2801254

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC4(CCc5ccccc54)CC3)cnc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.36
MCHR1 Q99705 5/20 0.36
RBP4 P02753 1/20 0.36
KRAS P01116 1/20 0.35
HPGDS O60760 1/20 0.34
OPRL1 P41146 1/20 0.34
ALDH1A1 P00352 5/20 0.33
SIGMAR1 Q99720 2/20 0.32
HTR1A P08908 1/20 0.32
MAPT P10636 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32

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
SCHEMBL2800950 0.90 RBP4 (0.39) ADRA1AMCHR1RBP4KRASHPGDS
SCHEMBL2800205 0.90 RBP4 (0.46) ADRA1AMCHR1RBP4KRASHPGDS
SCHEMBL2800978 0.89 ADRA1A (0.38) ADRA1AMCHR1RBP4KRASHPGDS
SCHEMBL2801080 0.86 ALDH1A1 (0.36) ALDH1A1HTR1AMAPTCYP46A1
SCHEMBL2799602 0.84 IDO1 (0.33) ALDH1A1
SCHEMBL2800842 0.83 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL2804334 0.83 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL2803802 0.82 AVPR1A (0.37) ALDH1A1HTR1AMAPT
SCHEMBL2799537 0.81 RECQL (0.36) ALDH1A1MAPT
SCHEMBL2801670 0.81 FASN (0.39) ALDH1A1MAPT

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 ADRA1A 3142/4885MCHR1 3678/4885RBP4 92/4885

“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.