SCHEMBL2847867

SCHEMBL2847867

CNC(=O)CCc1cnc2occc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MAPK1 P28482 1/20 0.37
PCNA P12004 1/20 0.36
CDK8 P49336 2/20 0.36
CCNC P24863 1/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
IGF1R P08069 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
FAAH O00519 1/20 0.34
ACSS2 Q9NR19 1/20 0.34

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
SCHEMBL13548275 0.76 FGFR1 (0.34) NPC1TP53ALDH1A1KDM4ERAB9A
SCHEMBL2844615 0.76 MEN1 (0.40)
SCHEMBL2846208 0.73 RECQL (0.36) CDK8HSD17B10
SCHEMBL10855532 0.73 PARP1 (0.39) NPC1CYP1A2ALDH1A1KDM4ERAB9A
SCHEMBL2848493 0.70 MET (0.41) HSD17B1HSD17B2CDK8CCNCCYP1A2
SCHEMBL2848491 0.70 MET (0.41) HSD17B1HSD17B2CDK8CCNCCYP1A2
SCHEMBL3662694 0.70 PARP1 (0.34) CYP1A2SMN1; SMN2
SCHEMBL27532006 0.70 S1PR1 (0.43)
SCHEMBL2852675 0.70 HRH1 (0.39)
SCHEMBL6639359 0.70 PIK3CD (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A NR4A2 2150/4885HSD17B1 3728/4885HSD17B2 3712/4885

“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.