SCHEMBL20032465

SCHEMBL20032465

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
DDR1 Q08345 2/20 0.34
PDE2A O00408 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
SSTR5 P35346 1/20 0.33
CTSA P10619 1/20 0.32
CETP P11597 2/20 0.31
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C1 Q04828 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
SCHEMBL18713563 0.93 KCNH2 (0.41) KCNH2AKR1C3AKR1C2DDR1PDE2A
SCHEMBL20032474 0.90 AKR1C3 (0.36) KCNH2AKR1C3AKR1C2DDR1PDE2A
SCHEMBL20032485 0.89 KCNH2 (0.38) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL20032347 0.86 KCNH2 (0.36) KCNH2AKR1C3AKR1C2PSEN1PSEN2
SCHEMBL18713558 0.85 AKR1C3 (0.40) KCNH2AKR1C3AKR1C2DDR1PDE2A
SCHEMBL18713978 0.82 PDE2A (0.38) KCNH2AKR1C3AKR1C2DDR1PDE2A
SCHEMBL21366928 0.81 KCNH2 (0.43) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL18713808 0.80 KCNH2 (0.44) KCNH2CTSA
SCHEMBL20032373 0.80 KCNH2 (0.38) KCNH2CTSA
SCHEMBL18713559 0.78 KCNH2 (0.42) KCNH2AKR1C3AKR1C2CTSAAKR1B10

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 KCNH2 3159/4885AKR1C3 157/4885AKR1C2 103/4885

“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.