SCHEMBL12384652

SCHEMBL12384652

CCN1CC[C@@H](C(C)(C)C)[C@@H](F)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.32
OPRM1 P35372 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
RORC P51449 2/20 0.30

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
SCHEMBL12384802 1.00 KDM4E (0.33) KDM4EHSD11B1SMN1; SMN2HTR2AOPRM1
SCHEMBL15925075 1.00 KDM4E (0.33) KDM4EHSD11B1SMN1; SMN2HTR2AOPRM1
SCHEMBL15925101 0.85 DRD2 (0.38)
SCHEMBL15925132 0.82
SCHEMBL24828000 0.80 KCNH2 (0.30)
SCHEMBL15925129 0.80 SLC18A3 (0.37) OPRM1
SCHEMBL12374967 0.78 KCNH2 (0.34) OPRM1
SCHEMBL1893625 0.76 SMN1; SMN2 (0.38) HSD11B1SMN1; SMN2
SCHEMBL23425750 0.76 SMN1; SMN2 (0.38) HSD11B1SMN1; SMN2
SCHEMBL1893627 0.76 SMN1; SMN2 (0.38) HSD11B1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 KDM4E 2333/4885HSD11B1 291/4885SMN1; SMN2 4086/4885

“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.