SCHEMBL6701558

SCHEMBL6701558

CCN(CC)CCCC(=O)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.71
HTR7 P34969 1/20 0.67
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
LMNA P02545 2/20 0.50
PTPN1 P18031 1/20 0.50
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 2/20 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
SCHEMBL5954012 0.90 HTR7 (0.61) L3MBTL1HTR7NPC1RAB9ALMNA
SCHEMBL2413370 0.83 HDAC1 (0.53) L3MBTL1HTR7NPC1RAB9ALMNA
SCHEMBL22365092 0.83 L3MBTL1 (0.62) L3MBTL1NPC1RAB9ALMNAKMT2A
SCHEMBL3822016 0.83 NPC1 (0.69) L3MBTL1HTR7NPC1RAB9ALMNA
SCHEMBL9716696 0.83 NPC1 (0.59) L3MBTL1HTR7NPC1RAB9ALMNA
SCHEMBL9154155 0.81 L3MBTL1 (0.70) L3MBTL1HTR7NPC1RAB9A
SCHEMBL7885389 0.80 HTR7 (1.00) HTR7NPC1RAB9ALMNAPTPN1
SCHEMBL9680520 0.80 NPC1 (0.91) L3MBTL1HTR7NPC1RAB9ALMNA
SCHEMBL5178977 0.79 HTR7 (0.89) HTR7NPC1RAB9APTPN1TSHR
SCHEMBL9187410 0.78 L3MBTL1 (0.63) L3MBTL1NPC1RAB9ALMNAKMT2A

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-20040006042-A1 Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers BERRY DAVID ALLEN (US) 2004-01-08 US disclosed
US-4851526-A ANTIARRYTHMIA, HYPOTENSIVE, ANTIISCHEMIC SCHERING A.G. (DE) 1989-07-25 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-20040006042-A1 Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers ABCB1, ABCC1, DPYD L3MBTL1 4229/4885HTR7 4636/4885NPC1 457/4885

“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.