SCHEMBL12138709

SCHEMBL12138709

CCCC(C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](N)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.79
CYP2D6 P10635 1/20 0.79
INPP5D Q92835 1/20 0.77
BCHE P06276 1/20 0.67
ACHE P22303 1/20 0.67
CASP7 P55210 3/20 0.56
GPBAR1 Q8TDU6 3/20 0.56
HIF1A Q16665 3/20 0.56
TP53 P04637 2/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
BLM P54132 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 2/20 0.56
VDR P11473 2/20 0.56
USP2 O75604 2/20 0.56
MDM4 O15151 1/20 0.56
MAPT P10636 1/20 0.56
HSPD1 P10809 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL4018554 0.93 CYP2C19 (0.80) CYP2C19CYP2D6INPP5DBCHEACHE
SCHEMBL13769840 0.93 CYP2C19 (0.80) CYP2C19CYP2D6INPP5DBCHEACHE
SCHEMBL4018557 0.93 CYP2C19 (0.80) CYP2C19CYP2D6INPP5DBCHEACHE
Hydrochloric Acid SCHEMBL19733254 0.89 INPP5D (0.75) CYP2C19CYP2D6INPP5DBCHEACHE
Hydrochloric Acid SCHEMBL19733253 0.89 INPP5D (0.75) CYP2C19CYP2D6INPP5DBCHEACHE
SCHEMBL24104271 0.88 CYP2D6 (1.00) CYP2C19CYP2D6INPP5DBCHEACHE
SCHEMBL21589991 0.88 CYP2D6 (1.00) CYP2C19CYP2D6INPP5DBCHEACHE
SCHEMBL1163573 0.88 CYP2D6 (1.00) CYP2C19CYP2D6INPP5DBCHEACHE
SCHEMBL23645781 0.88 CYP2D6 (1.00) CYP2C19CYP2D6INPP5DBCHEACHE
SCHEMBL21946613 0.88 CYP2D6 (1.00) CYP2C19CYP2D6INPP5DBCHEACHE

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-20110280802-A1 Linkers For Radiopharmaceutical Compounds BRACCO IMAGING S.P.A. (IT) 2011-11-17 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-20110280802-A1 Linkers For Radiopharmaceutical Compounds VIP, QPCT, NPPA CYP2C19 3246/4885CYP2D6 2615/4885INPP5D 2509/4885

“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.