SCHEMBL20032372

SCHEMBL20032372

CCCC(CC)c1ccc(Cl)cc1-c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.39
AKR1C2 P52895 6/20 0.39
AKR1B10 O60218 2/20 0.35
AKR1C4 P17516 2/20 0.35
AKR1C1 Q04828 2/20 0.35
TRPV3 Q8NET8 1/20 0.34
SCN9A Q15858 1/20 0.34
CNR1 P21554 1/20 0.33
F11 P03951 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
KMO O15229 2/20 0.32
FAAH O00519 6/20 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
SCHEMBL18713986 0.92 AKR1C3 (0.42) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL20032447 0.90 AKR1C3 (0.39) AKR1C3AKR1C2SCN9A
SCHEMBL18713804 0.82 AKR1C3 (0.42) AKR1C3AKR1C2SCN9A
SCHEMBL20032375 0.82 TRPV1 (0.36) CNR1SLC1A3SLC1A2SLC1A1
SCHEMBL20032482 0.81 TRPV1 (0.36) CNR1
SCHEMBL20031922 0.80 AKR1C3 (0.41) AKR1C3AKR1C2TRPV3SCN9ACNR1
SCHEMBL21725513 0.80 KCNH2 (0.35) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL18713979 0.80 KCNH2 (0.38) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL20032350 0.80 PTGS2 (0.34) CNR1
SCHEMBL21366928 0.79 KCNH2 (0.43) CNR1

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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885

“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.