SCHEMBL1867264

SCHEMBL1867264

O=C(NC1CCCCC1)N1CCc2cc(F)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
TSHR P16473 1/20 0.61
NOTUM Q6P988 1/20 0.57
POLB P06746 3/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX5 P09917 1/20 0.51
EPHX2 P34913 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CCR3 P51677 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL1865105 0.90 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7265847 0.82 NOTUM (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1865726 0.81 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1863598 0.81 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7440870 0.81 NOTUM (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13190222 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13190424 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4871829 0.79 TSHR (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23113108 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4863134 0.75 MEN1 (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263848-A1 Organic Compounds GIVAUDAN SA (CH) 2012-10-18 US claimed
EP-2493853-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2012-09-05 EP claimed
WO-2011051394-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-05-05 WO claimed
US-20120263848-A1 Organic Compounds GIVAUDAN SA (CH) 2012-10-18 US disclosed
US-20120263848-A1 Organic Compounds GIVAUDAN SA (CH) 2012-10-18 US disclosed
US-20120263848-A1 Organic Compounds GIVAUDAN SA (CH) 2012-10-18 US disclosed
EP-2493853-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2012-09-05 EP disclosed
WO-2011051394-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-05-05 WO 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-20120263848-A1 Organic Compounds OR10J3, CBR3, C9 NPC1 1550/4885RAB9A 919/4885SMN1; SMN2 3112/4885

“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.