SCHEMBL2188170

SCHEMBL2188170

CCCCCN(CCc1ccccn1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 4/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
RAF1 P04049 1/20 0.42
MAP2K1 Q02750 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
HSD11B1 P28845 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2187873 0.88 TRPM8 (0.47) HPGDHSD17B10KDM4ETDP1SMN1; SMN2
SCHEMBL2185859 0.85 KDM4E (0.44) HPGDHSD17B10KDM4EALDH1A1HIF1A
SCHEMBL7867003 0.79 KDM4E (0.42) KDM4EALDH1A1HIF1ATDP1RAF1
SCHEMBL2755875 0.78 HIF1A (0.59) KDM4EALDH1A1HIF1ATDP1SMN1; SMN2
SCHEMBL7864555 0.78 KDM4E (0.45) HSD17B10KDM4EALDH1A1HIF1ATDP1
SCHEMBL2187950 0.77 LMNA (0.44) HPGDSMN1; SMN2HTTTSHR
SCHEMBL1677429 0.77 ALOX12 (0.41) HPGDHSD17B10KDM4EALDH1A1RAF1
SCHEMBL2187683 0.77 LMNA (0.31) HIF1ATSHR
SCHEMBL7864548 0.77 HCRTR1 (0.42) KDM4EALDH1A1HIF1ATDP1
SCHEMBL2186737 0.76 TRPM8 (0.52) KDM4EALDH1A1TDP1SMN1; SMN2POLB

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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US claimed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP claimed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO claimed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP disclosed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions CYP2A6, CYP2B6, CYP2A13 HPGD 116/4885HSD17B10 126/4885KDM4E 1238/4885

“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.