SCHEMBL12848464

SCHEMBL12848464

CCC(C)(CC)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.62
MC4R P32245 1/20 0.58
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 2/20 0.51
DRD4 P21917 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
OPRM1 P35372 2/20 0.51
ACHE P22303 1/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL19231601 0.86 SIGMAR1 (0.66) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL855234 0.84 SIGMAR1 (0.69) SIGMAR1MC4RLMNAPOLBKMT2A
Hydrochloric Acid SCHEMBL4074661 0.82 SIGMAR1 (0.67) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL20090429 0.80 SIGMAR1 (0.62) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL1088596 0.80 SIGMAR1 (0.53) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL6422796 0.79 SIGMAR1 (0.62) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL8188324 0.79 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL1415730 0.79 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL2489199 0.79 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL576868 0.79 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A

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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 SIGMAR1 1356/4885MC4R 1929/4885LMNA 1139/4885

“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.