SCHEMBL20032454

SCHEMBL20032454

CCC(CC)c1ccc(Cl)cc1-c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
PLA2G1B P04054 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL20032503 0.91 GCG (0.39) MEN1KMT2AKCNH2LMNAMAPT
SCHEMBL21366762 0.91 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18713983 0.87 KCNH2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20032427 0.85 KCNH2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18713538 0.85 PTGDR2 (0.42) MEN1KMT2AALDH1A1KCNH2KDM4E
SCHEMBL20032330 0.84 KCNH2 (0.35) HPGDMEN1KMT2AALDH1A1TDP1
SCHEMBL18713796 0.84 KCNH2 (0.36) ALDH1A1KCNH2LMNAHTR2ASLC6A4
SCHEMBL18713620 0.83 KCNH2 (0.38) KCNH2LMNAHTTAGPAT2GCG
SCHEMBL18713639 0.83 TRPV1 (0.38) ALDH1A1KCNH2LMNAHTTHTR2A
SCHEMBL21164538 0.83 MAPT (0.40) HPGDMEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
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 (3 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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PSEN1 2972/4885PSEN2 4255/4885APH1B 2805/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PSEN1 2972/4885PSEN2 4255/4885APH1B 2805/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PSEN1 2972/4885PSEN2 4255/4885APH1B 2805/4885

“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.