SCHEMBL20032369

SCHEMBL20032369

CCC(CC)c1ccc(-c2cc(Cl)cc(C(F)(F)F)c2)cc1-n1ccc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 17/20 0.37
TPH2 Q8IWU9 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
SLC6A2 P23975 2/20 0.37
AGTR1 P30556 2/20 0.37
SLC6A4 P31645 2/20 0.37
CCKAR P32238 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MLNR O43193 1/20 0.37
NR3C1 P04150 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MC3R P41968 1/20 0.37
HTR3A P46098 1/20 0.37
PDE4D Q08499 1/20 0.37
KCNH2 Q12809 1/20 0.37
GHSR Q92847 1/20 0.37
F2 P00734 1/20 0.36
ESR1 P03372 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL18713676 0.92 KDM4E (0.37) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL18713756 0.89 MAPT (0.39) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL20032488 0.88 RXRA (0.36) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL21366613 0.86 KDM4E (0.34) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL18713655 0.86 KCNH2 (0.39) KCNH2KDM4EALDH1A1GAAMAPT
SCHEMBL18713663 0.86 TPH1 (0.35) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL21366580 0.86 KDM4E (0.37) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL16574124 0.83 KDM4E (0.38) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL18713977 0.83 RAB9A (0.40) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL18713553 0.83 TPH1 (0.36) TPH1TPH2ADORA3SLC6A2AGTR1

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 TPH1 1/4885TPH2 2/4885ADORA3 1041/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TPH1 1/4885TPH2 2/4885ADORA3 1041/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TPH1 1/4885TPH2 2/4885ADORA3 1041/4885

“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.