SCHEMBL13085572

SCHEMBL13085572

CC1=Cc2ccccc2C12CCN(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
OPRM1 P35372 3/20 0.43
DRD4 P21917 1/20 0.43
SIGMAR1 Q99720 3/20 0.36
ADRA2C P18825 1/20 0.36
GAA P10253 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL2801416 0.81 OPRM1 (0.41) OPRM1KMT2AMAPK1
SCHEMBL29804768 0.80 GPR84 (0.35) OPRM1SLC6A4
SCHEMBL2801412 0.77 OPRM1 (0.53) OPRM1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL30667253 0.73 TSHR (0.38) GAAMAPK1SMN1; SMN2TSHR
SCHEMBL27213000 0.73 TSHR (0.38) GAAMAPK1SMN1; SMN2TSHR
SCHEMBL30667240 0.73 ESR1 (0.35) CYP1A2
SCHEMBL29470988 0.72 DRD4 (0.50) CYP1A2OPRM1DRD4SIGMAR1GAA
SCHEMBL9927232 0.72 DRD4 (0.50) CYP1A2OPRM1DRD4SIGMAR1GAA
SCHEMBL29731975 0.69 MEN1 (0.37) OPRM1KMT2ASMN1; SMN2SLC6A4OPRK1
SCHEMBL30666538 0.68 CRBN (0.40) TSHR

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 6 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-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
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 CYP1A2 1664/4885OPRM1 4885/4885DRD4 4752/4885

“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.