SCHEMBL1865726

SCHEMBL1865726

O=C(NC1CCCCCCC1)N1CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
TSHR P16473 2/20 0.89
POLB P06746 2/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CHRM2 P08172 2/20 0.58
CHRM4 P08173 2/20 0.58
CHRM1 P11229 2/20 0.58
CHRM3 P20309 2/20 0.58
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
TP53 P04637 1/20 0.57
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL1863598 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL4869603 0.92 TSHR (0.95) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL4863867 0.92 TSHR (0.95) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL4870617 0.92 TSHR (0.95) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL4871280 0.90 TSHR (0.92) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL1867264 0.81 NPC1 (0.68) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL1865105 0.81 NPC1 (0.68) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL7266739 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL7266518 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL4869962 0.80 TSHR (0.74) SMN1; SMN2NPC1RAB9ATSHRPOLB

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 SMN1; SMN2 3112/4885NPC1 1550/4885RAB9A 919/4885

“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.