SCHEMBL16019151

SCHEMBL16019151

COc1ccc2c(c1)CCC(OC)C2

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.57
DRD3 P35462 7/20 0.57
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
ACHE P22303 3/20 0.52
CYP19A1 P11511 2/20 0.52
CYP26A1 O43174 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CYP2B6 P20813 1/20 0.52
DRD4 P21917 2/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47

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
SCHEMBL5485492 0.93 DRD2 (0.66) DRD2DRD3CA1CA2ACHE
SCHEMBL14812350 0.84 DRD2 (0.51) DRD2DRD3CA1CA2ACHE
SCHEMBL7958716 0.83 CA1 (0.53) DRD2DRD3CA1CA2ACHE
SCHEMBL18264462 0.83 FAAH (0.54) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL16233625 0.81 DRD2 (0.58) DRD2DRD3CA1CA2ACHE
SCHEMBL4529303 0.81 CYP11B2 (0.54) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL629616 0.81 DRD2 (0.58) DRD2DRD3CA1CA2ACHE
SCHEMBL16233624 0.81 DRD2 (0.58) DRD2DRD3CA1CA2ACHE
SCHEMBL6456941 0.79 DRD2 (0.47) DRD2DRD3CA1CA2ACHE
SCHEMBL6456949 0.79 DRD2 (0.47) DRD2DRD3CA1CA2ACHE

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-9044463-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2015-06-02 US disclosed
US-20140256725-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-09-11 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-20140256725-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR DRD2 1262/4885DRD3 2031/4885CA1 3275/4885

“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.