SCHEMBL9918833

SCHEMBL9918833

C#CCC(c1cc(C#N)ccc1OCC#N)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.34
ICMT O60725 3/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL9918202 0.91 TRPV4 (0.36) TRPV4ICMTPTGDR2HTR2ASLC6A4
SCHEMBL9918824 0.87 HPGD (0.39)
SCHEMBL9918843 0.85 AR (0.40) TRPV4ICMTSLC6A4AR
SCHEMBL9918828 0.82 BRPF1 (0.32)
SCHEMBL12302988 0.79 TRPV4 (0.38) TRPV4ICMTPTGDR2HTR2ASLC6A4
SCHEMBL18896348 0.79 TRPV4 (0.36) TRPV4ICMTPTGDR2HTR2ASLC6A4
SCHEMBL18599183 0.77 TP53 (0.38)
SCHEMBL9918207 0.77 TP53 (0.38)
SCHEMBL12251265 0.76 TRPV4 (0.34) TRPV4ICMTPTGDR2HTR2ASLC6A4
SCHEMBL9918204 0.76 AR (0.42) TRPV4ICMTSLC6A4AR

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 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 (2 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TRPV4 3728/4885ICMT 3532/4885PTGDR2 2002/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TRPV4 3787/4885ICMT 3334/4885PTGDR2 1780/4885

“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.