SCHEMBL20032474

SCHEMBL20032474

CCCC(CC)c1ccc(Cl)cc1-c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PDE2A O00408 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CTSA P10619 1/20 0.33
KCNH2 Q12809 2/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
LMNA P02545 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
SCHEMBL18713978 0.92 PDE2A (0.38) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL20032465 0.90 KCNH2 (0.36) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL18713558 0.87 AKR1C3 (0.40) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL20032347 0.83 KCNH2 (0.36) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL18713563 0.82 KCNH2 (0.41) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL20032485 0.80 KCNH2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20032447 0.79 AKR1C3 (0.39) AKR1C3AKR1C2LMNANOTUM
SCHEMBL20032372 0.79 AKR1C3 (0.39) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL20032466 0.78 RORB (0.40) AKR1C3AKR1C2PDE2ALMNACYP1A2
SCHEMBL18713620 0.78 KCNH2 (0.38) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1

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.