SCHEMBL19122012

SCHEMBL19122012

Cc1ccc2c(c1)C(C(C)C)N(C(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
SLC6A3 Q01959 7/20 0.40
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP2D6 P10635 2/20 0.30
ACHE P22303 1/20 0.30
POLB P06746 1/20 0.30
KCNH2 Q12809 1/20 0.30
SRD5A1 P18405 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
SCHEMBL2706549 0.77 PRCP (0.40) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL4737669 0.77 PRCP (0.40) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL18033525 0.69 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3DPP8DPP9
SCHEMBL17993844 0.68 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3DPP8DPP9
SCHEMBL18033527 0.68 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3DPP8DPP9
SCHEMBL12367362 0.63 KCNH2 (0.50) SLC6A2SLC6A4SLC6A3DPP8DPP9
SCHEMBL12921565 0.62 DRD4 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL14985698 0.62 DRD4 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4737687 0.61 PRCP (0.45)
SCHEMBL17517151 0.61 MAP3K5 (0.42) ACHEKCNH2

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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 SLC6A2 1083/4885SLC6A4 917/4885SLC6A3 774/4885

“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.