SCHEMBL20032393

SCHEMBL20032393

CCC(CC)c1ccc(OC(C)C)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
CSNK2A1 P68400 2/20 0.36
SHBG P04278 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
P2RX3 P56373 7/20 0.36
NAAA Q02083 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PDE2A O00408 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A4 P31645 2/20 0.33

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
SCHEMBL21164591 0.91 TAS1R3 (0.35) KCNQ3KCNQ2CSNK2A1SHBGTRPV3
SCHEMBL21276094 0.86 ALDH1A1 (0.41) KCNQ3KCNQ2CSNK2A1SHBGTRPV3
SCHEMBL12189298 0.82 LMNA (0.43) PPARGPPARAALDH1A1
SCHEMBL9945957 0.82 KCNQ3 (0.39) KCNQ3KCNQ2CSNK2A1TRPV3P2RX3
SCHEMBL21276073 0.81 ALDH1A1 (0.50) PPARGPPARAALDH1A1GAAMAPT
SCHEMBL20032293 0.81 KDM1A (0.46) KCNQ3KCNQ2SHBGPDE2AALDH1A1
SCHEMBL20032064 0.81 ALDH1A1 (0.38) CSNK2A1PPARAALDH1A1GAAMAPT
SCHEMBL20032313 0.79 CSNK2A1 (0.54) CSNK2A1SMN1; SMN2
SCHEMBL16956971 0.79 KCNQ3 (0.37) KCNQ3KCNQ2CSNK2A1TRPV3P2RX3
SCHEMBL13877358 0.79 AKT1 (0.44) KCNQ3KCNQ2CSNK2A1TRPV3P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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 (8 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KCNQ3 3621/4885KCNQ2 3048/4885CSNK2A1 3870/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNQ3 3621/4885KCNQ2 3048/4885CSNK2A1 3870/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNQ3 3621/4885KCNQ2 3048/4885CSNK2A1 3870/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNQ3 3621/4885KCNQ2 3048/4885CSNK2A1 3870/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KCNQ3 3621/4885KCNQ2 3048/4885CSNK2A1 3870/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KCNQ3 3621/4885KCNQ2 3048/4885CSNK2A1 3870/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNQ3 3621/4885KCNQ2 3048/4885CSNK2A1 3870/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KCNQ3 3621/4885KCNQ2 3048/4885CSNK2A1 3870/4885

“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.