SCHEMBL17014309

SCHEMBL17014309

CC(=O)C1CCC(c2cccc3c2C(C)CC3)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
DRD2 P14416 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ACHE P22303 3/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
PDPK1 O15530 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
P2RX7 Q99572 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
SCHEMBL17014308 0.78 NOTUM (0.37) NOTUMDRD2
SCHEMBL16577360 0.77 NOTUM (0.40) NOTUMMTNR1AMTNR1B
SCHEMBL29628522 0.72 DRD2 (0.57) DRD2
SCHEMBL20872759 0.72 DRD2 (0.57) DRD2
SCHEMBL16577449 0.71 NOTUM (0.39) NOTUM
SCHEMBL17014364 0.71 NOTUM (0.36) NOTUMMTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL22785039 0.70 MTNR1A (0.53) NOTUMMTNR1AMTNR1B
SCHEMBL15585945 0.68 NOTUM (0.35) NOTUMDRD2
SCHEMBL15746314 0.68 NOTUM (0.39) NOTUMTAS1R3TAS1R1TAS1R2
SCHEMBL2049735 0.68 DRD2 (0.53) DRD2

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 NOTUM 2968/4885DRD2 3934/4885MTNR1A 1734/4885

“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.