SCHEMBL2563329

SCHEMBL2563329

Cc1cccc(C(C#N)=C2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39

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
SCHEMBL29172164 0.82 ALDH1A1 (0.42) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29090510 0.81 CES2 (0.47) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2564307 0.80 NPC1 (0.51) HPGDNPC1RAB9ASMN1; SMN2MAPT
Benzene SCHEMBL28160719 0.79 NPC1 (0.49) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL586754 0.79 NPC1 (0.49) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29090508 0.79 NPC1 (0.42) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3210075 0.77 NPC1 (0.50) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15494373 0.71 PARP1 (0.50) FAAHHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL28626730 0.70 CYP19A1 (0.43) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2333379 0.70 NPC1 (0.41) HPGDNPC1RAB9ASMN1; SMN2MAPT

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-1890999-B1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2011-11-02 EP disclosed
US-7655701-B2 Cycloalkylidene-(ortho substituted phenyl)-acetonitriles and their use as odorants GIVAUDAN SA (CH) 2010-02-02 US disclosed
US-20080200554-A1 Cycloaklyldiene-(Ortho Substituted Phenyl)-Acetonitriles and Their Use as Odorants GIVAUDAN SA (CH) 2008-08-21 US disclosed
EP-1890999-A1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS Givaudan SA (CH) 2008-02-27 EP disclosed
WO-2006133592-A1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2006-12-21 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-20080200554-A1 Cycloaklyldiene-(Ortho Substituted Phenyl)-Acetonitriles and Their Use as Odorants OR10J3, OR51E2, OPRD1 FAAH 423/4885HPGD 339/4885NPC1 2179/4885

“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.