SCHEMBL657842

SCHEMBL657842

CC(C)N1CCC(c2ccon2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.38
HRH3 Q9Y5N1 4/20 0.36
KCNH2 Q12809 1/20 0.36
TLR9 Q9NR96 3/20 0.36
TLR8 Q9NR97 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
PARP1 P09874 2/20 0.34
OGA O60502 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CHRM1 P11229 1/20 0.33
KDM1A O60341 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
SCHEMBL657159 0.81 CHRM1 (0.42) CHRM1
SCHEMBL110926 0.78
SCHEMBL8060559 0.72 L3MBTL1 (0.36)
SCHEMBL16218248 0.70 CHRM2 (0.47) HRH3KCNH2CHRM1
SCHEMBL16992452 0.69 SLC18A3 (0.41) HRH3
SCHEMBL21162011 0.69 KDM1A (0.31) KDM1A
SCHEMBL3068827 0.69 CCR2 (0.39) HTR4HRH3KCNH2PARP1OGA
SCHEMBL17896362 0.69 DRD2 (0.47) HTR4KCNH2TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL21079740 0.68 KDM1A (0.30) KDM1A
Hydrochloric Acid SCHEMBL21079742 0.68 KDM1A (0.30) KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HTR4 3372/4885HRH3 1929/4885KCNH2 4437/4885

“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.