SCHEMBL1868992

SCHEMBL1868992

CC1CN(C(=O)NC2CCCCC2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
TSHR P16473 1/20 0.56
P2RX1 P51575 1/20 0.52
P2RX3 P56373 1/20 0.52
P2RX4 Q99571 1/20 0.52
P2RX7 Q99572 1/20 0.52
BCHE P06276 3/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL7266681 0.82 NOTUM (0.53) NOTUM
Hydrochloric Acid SCHEMBL7439063 0.81 NOTUM (0.52) NOTUM
SCHEMBL12682779 0.77 MAPT (0.69) SMN1; SMN2RAB9ANPC1TSHRP2RX1
SCHEMBL12682800 0.77 MAPT (0.69) SMN1; SMN2RAB9ANPC1TSHRP2RX1
SCHEMBL27852096 0.75 NOTUM (0.75) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL14294095 0.75 NOTUM (1.00) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL1865726 0.72 SMN1; SMN2 (1.00) NOTUMSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL1863598 0.72 SMN1; SMN2 (1.00) NOTUMSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL7550236 0.71 NOTUM (0.69) NOTUMSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL1861699 0.70 LMNA (0.59) NOTUMSMN1; SMN2RAB9ANPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263848-A1 Organic Compounds GIVAUDAN SA (CH) 2012-10-18 US 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
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 NOTUM 2186/4885SMN1; SMN2 3112/4885RAB9A 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.