SCHEMBL13085707

SCHEMBL13085707

CC1=CC2(CCN(C)CC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
OPRM1 P35372 4/20 0.37
SLC6A4 P31645 2/20 0.37
ADRA1A P35348 2/20 0.37
KCNH2 Q12809 2/20 0.37
SLC22A1 O15245 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
SETD7 Q8WTS6 3/20 0.37
PDK2 Q15119 1/20 0.37
PGR P06401 1/20 0.36
DRD4 P21917 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL2803156 0.80 MEN1 (0.37) CYP2C19CYP1A2
SCHEMBL1577461 0.77 SIGMAR1 (0.42) SIGMAR1HTR2AHTR2CKDM4EOPRM1
SCHEMBL4006116 0.75 SCN1A (0.39) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL24097384 0.73 APOBEC3A (0.37) KDM4EPGR
SCHEMBL29470988 0.72 DRD4 (0.50) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL9927232 0.72 DRD4 (0.50) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL11545128 0.69 DRD2 (0.42) SLC6A4DRD4CHRM2CHRM1SLC6A2
SCHEMBL29731869 0.69 AKR1B1 (0.34) KDM4EGLAOPRM1SLC6A4OPRK1
SCHEMBL19123073 0.68 OPRM1 (0.37) OPRM1SLC6A4ADRA1AKCNH2SLC22A1
SCHEMBL11549632 0.68 DRD2 (0.41) SLC6A4DRD4CHRM2CHRM1SLC6A2

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 SIGMAR1 4738/4885HTR2A 4769/4885HTR2C 4834/4885

“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.