SCHEMBL20032315

SCHEMBL20032315

CCC(CC)c1cc(C)c(Cl)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
ALOX15 P16050 1/20 0.42
MAOA P21397 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
S1PR1 P21453 9/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OGG1 O15527 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL23627358 0.79 ALOX15 (0.41) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL2237058 0.77 SLC6A4 (0.39) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL14341042 0.76 ESR1 (0.46) CYP3A4CHRM1ALOX15TBXA2RADRA1A
SCHEMBL12735675 0.76 S1PR1 (0.41) S1PR1MCL1ADRA2AADRA2BADRA2C
SCHEMBL12646232 0.75 TSHR (0.42) CYP3A4ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL18713913 0.74 RAPGEF4 (0.36) ADRA2AADRA2BADRA2CTSHR
SCHEMBL12646171 0.73 ALDH1A1 (0.42) L3MBTL1ALDH1A1POLBCYP2C19
SCHEMBL12533349 0.72 HTR2B (0.48) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL18598339 0.71 ADRA2A (0.39) CYP3A4CHRM1ALOX15TBXA2RADRA1A
SCHEMBL28772896 0.71 AKR1C3 (0.44) CYP3A4CHRM1ALOX15MAOATBXA2R

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 CYP3A4 234/4885CHRM1 1934/4885ALOX15 565/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP3A4 234/4885CHRM1 1934/4885ALOX15 565/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP3A4 234/4885CHRM1 1934/4885ALOX15 565/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP3A4 234/4885CHRM1 1934/4885ALOX15 565/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP3A4 234/4885CHRM1 1934/4885ALOX15 565/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP3A4 234/4885CHRM1 1934/4885ALOX15 565/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP3A4 234/4885CHRM1 1934/4885ALOX15 565/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP3A4 234/4885CHRM1 1934/4885ALOX15 565/4885

“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.