SCHEMBL20032313

SCHEMBL20032313

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.54
RORC P51449 1/20 0.45
S1PR1 P21453 10/20 0.44
S1PR3 Q99500 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
KMO O15229 2/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAP4K4 O95819 1/20 0.36
PRKCD Q05655 1/20 0.36
MINK1 Q8N4C8 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
SCHEMBL12646342 0.82 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10168911 0.82 CSNK2A1 (0.56) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL18101769 0.81 CSNK2A1 (0.49) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL20032378 0.81 MAPT (0.46) CSNK2A1RORCMEN1KMT2ALMNA
SCHEMBL20032064 0.81 ALDH1A1 (0.38) CSNK2A1SMN1; SMN2
SCHEMBL21276073 0.81 ALDH1A1 (0.50) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL20032393 0.79 KCNQ3 (0.36) CSNK2A1SMN1; SMN2
SCHEMBL16951319 0.79 CSNK2A1 (0.53) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL15943228 0.79 CSNK2A1 (0.53) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL13678368 0.76 CSNK2A1 (0.42) CSNK2A1RORCS1PR1S1PR3LMNA

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 CSNK2A1 3870/4885RORC 300/4885S1PR1 166/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CSNK2A1 3870/4885RORC 300/4885S1PR1 166/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CSNK2A1 3870/4885RORC 300/4885S1PR1 166/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CSNK2A1 3870/4885RORC 300/4885S1PR1 166/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CSNK2A1 3870/4885RORC 300/4885S1PR1 166/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CSNK2A1 3870/4885RORC 300/4885S1PR1 166/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CSNK2A1 3870/4885RORC 300/4885S1PR1 166/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CSNK2A1 3870/4885RORC 300/4885S1PR1 166/4885

“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.