SCHEMBL2565047

SCHEMBL2565047

CCc1ccccc1C(C#N)=C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 5/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 7/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2333379 0.79 NPC1 (0.41) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL29411166 0.79 NPC1 (0.41) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL2565267 0.76 NPC1 (0.40) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL2565240 0.75 NPC1 (0.42) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL6449905 0.73 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL4639985 0.72 NPC1 (0.40) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
Benzene SCHEMBL28160719 0.71 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL11473722 0.71 CLCN2 (0.41) SMN1; SMN2MAPTALDH1A1KMT2AHPGD
SCHEMBL586754 0.71 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL25093172 0.69 GABRA1 (0.39) MAPTCYP1A2ALDH1A1KMT2ATSHR

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 11 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 claimed
US-7655701-B2 Cycloalkylidene-(ortho substituted phenyl)-acetonitriles and their use as odorants GIVAUDAN SA (CH) 2010-02-02 US claimed
US-20080200554-A1 Cycloaklyldiene-(Ortho Substituted Phenyl)-Acetonitriles and Their Use as Odorants GIVAUDAN SA (CH) 2008-08-21 US claimed
CN-101198585-A Cycloakylidene- (ortho substituted phenyl) -acetonitriles and their use as odorants GIVAUDAN SA (CH) 2008-06-11 CN claimed
EP-1890999-A1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS Givaudan SA (CH) 2008-02-27 EP claimed
WO-2006133592-A1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2006-12-21 WO claimed
CN-101198585-B Cycloakylidene- (ortho substituted phenyl) -acetonitriles and their use as odorants GIVAUDAN S.A. (CH) 2011-12-07 CN disclosed
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
CN-101198585-A Cycloakylidene- (ortho substituted phenyl) -acetonitriles and their use as odorants GIVAUDAN SA (CH) 2008-06-11 CN 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 SMN1; SMN2 3788/4885NPC1 2179/4885RAB9A 4166/4885

“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.