SCHEMBL20442174

SCHEMBL20442174

CCC(C)c1nn(C)c2ccc(C#N)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
SLC6A4 P31645 3/20 0.34
S1PR1 P21453 1/20 0.34
CACNA1H O95180 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
PTGER4 P35408 1/20 0.33
CYP11B2 P19099 1/20 0.33
CASP3 P42574 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.32
SCARB1 Q8WTV0 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL18532085 0.85 MAPK8 (0.35) SLC6A4CACNA1HCYP11B2CASP3SCARB1
SCHEMBL15687222 0.76 PTGDR2 (0.35) ALOX5APSLC6A4CACNA1HCASP3MEN1
SCHEMBL29889423 0.74 ADORA2A (0.53) SLC6A4CACNA1HDRD2DRD3CYP11B2
SCHEMBL13106345 0.74 ADORA2A (0.53) SLC6A4CACNA1HDRD2DRD3CYP11B2
SCHEMBL20458071 0.74 KDM4E (0.44) KMT2A
SCHEMBL13106485 0.73 AURKA (0.37) SLC6A4CACNA1HCYP11B2CASP3SCARB1
SCHEMBL4080159 0.73 AURKA (0.39) SLC6A4CACNA1HCYP11B2CASP3SCARB1
SCHEMBL31586549 0.73 CASP3 (0.39) SLC6A4CACNA1HCYP11B2CASP3GSK3B
SCHEMBL29584180 0.73 AURKA (0.37) SLC6A4CACNA1HCYP11B2CASP3SCARB1
SCHEMBL30200588 0.73 CACNA1H (0.37) SLC6A4CACNA1HCYP11B2CASP3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2018-08-02 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-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF ALOX5AP 937/4885SLC6A4 1918/4885S1PR1 3540/4885

“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.