SCHEMBL17019706

SCHEMBL17019706

CCc1ccc(C)c2c1C1(CC2)CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 2/20 0.39
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CYP1A2 P05177 1/20 0.34
OPRM1 P35372 3/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 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
SCHEMBL17019722 0.85 SIGMAR1 (0.33) SIGMAR1HTR2AHTR2CHTR2BCHRM2
SCHEMBL18870445 0.84 HTR2B (0.41) SIGMAR1HTR2AHTR2CHTR2BKDM4A
SCHEMBL17019758 0.75
SCHEMBL17019768 0.75
SCHEMBL18870237 0.75 HTR2A (0.36) SIGMAR1HTR2AHTR2CHTR2BKDM4A
SCHEMBL17019575 0.70 ALDH1A1 (0.30)
SCHEMBL17019568 0.68 DRD4 (0.34) SIGMAR1HTR2AHTR2CHTR2BKDM4A
SCHEMBL21710088 0.67 SIGMAR1 (0.38) SIGMAR1HTR2AHTR2CHTR2BOPRM1
SCHEMBL18870993 0.65 HTR2A (0.33) SIGMAR1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL17014283 0.65 SIGMAR1 (0.42) SIGMAR1HTR2AHTR2CHTR2BADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 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-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD SIGMAR1 2232/4885HTR2A 4319/4885HTR2C 2628/4885

“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.