SCHEMBL7606129

SCHEMBL7606129

COc1cccc2c1CC(C)C2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
DRD3 P35462 3/20 0.57
HTR1A P08908 9/20 0.56
CHRM2 P08172 3/20 0.56
CHRM1 P11229 3/20 0.56
CHRM3 P20309 3/20 0.56
DRD4 P21917 2/20 0.54
CYP19A1 P11511 1/20 0.53

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
SCHEMBL16233581 0.87 CHRM2 (0.64) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL17637593 0.83 DRD2 (0.71) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL8351546 0.83 DRD2 (0.71) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL385443 0.81 DRD2 (0.73) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL16482975 0.81 DRD2 (0.54) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL24029258 0.81 DRD2 (0.54) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL14545524 0.81 DRD2 (0.54) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL31324598 0.81 DRD2 (0.73) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL8856952 0.79 DRD2 (0.53) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL9568706 0.79 HTR1A (0.63) DRD2DRD3HTR1ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 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 (3 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-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT DRD2 2150/4885DRD3 2305/4885HTR1A 3652/4885
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 DRD2 3745/4885DRD3 2628/4885HTR1A 2833/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT DRD2 2150/4885DRD3 2305/4885HTR1A 3652/4885

“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.