SCHEMBL9918239

SCHEMBL9918239

CC(C)C(CCC#N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
TRPA1 O75762 2/20 0.43
TAAR1 Q96RJ0 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MAOA P21397 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP2D6 P10635 2/20 0.40
SLC18A2 Q05940 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL7933630 0.81 MAOB (0.50) MAOBTRPA1TAAR1SIGMAR1SLC6A2
SCHEMBL9918241 0.81 MAOB (0.50) MAOBTRPA1TAAR1SIGMAR1SLC6A2
SCHEMBL6283938 0.78 SIGMAR1 (0.58) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL15562646 0.77 SIGMAR1 (0.48) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL29246432 0.76 TRPA1 (0.47) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL15562660 0.74 CSNK1E (0.46) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL9918197 0.73 TSHR (0.55) CYP3A4TSHRTDP1
SCHEMBL4867233 0.73 POLB (0.44) MAOBCYP1A2TSHRMEN1KMT2A
SCHEMBL15563019 0.72 TRPA1 (0.53) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL7708878 0.71 CPA3 (0.59) TRPA1SLC6A3CYP1A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MAOB 2965/4885TRPA1 3399/4885TAAR1 3091/4885

“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.