SCHEMBL13323461

SCHEMBL13323461

CC(C)NCc1ccc(CN2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.68
HRH3 Q9Y5N1 5/20 0.61
HRH4 Q9H3N8 1/20 0.55
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MBTD1 Q05BQ5 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL21730434 0.98 NCF1 (0.66) NCF1HRH3HRH4ALDH1A1KDM4E
SCHEMBL23518849 0.88 ALDH1A1 (0.59) NCF1HRH3HRH4ALDH1A1KDM4E
SCHEMBL22856556 0.86 NCF1 (0.51) NCF1HRH3HRH4ALDH1A1KDM4E
SCHEMBL13322583 0.84 NCF1 (0.57) NCF1HRH3HRH4ALDH1A1KDM4E
SCHEMBL1934394 0.81 NCF1 (1.00) NCF1HRH3HRH4ALDH1A1KDM4E
SCHEMBL3240182 0.80 NCF1 (0.53) NCF1HRH3HRH4ALDH1A1KDM4E
SCHEMBL3271284 0.79 SIGMAR1 (0.48) ALDH1A1CYP2D6CYP2C19POLBSMN1; SMN2
SCHEMBL11201497 0.79 HRH3 (0.94) NCF1HRH3HRH4ALDH1A1KDM4E
SCHEMBL21730465 0.79 NCF1 (0.96) NCF1HRH3HRH4ALDH1A1KDM4E
SCHEMBL3242381 0.79 NCF1 (0.51) NCF1HRH3HRH4ALDH1A1KDM4E

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-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 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-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 NCF1 869/4885HRH3 1263/4885HRH4 908/4885

“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.