SCHEMBL20032331

SCHEMBL20032331

CCC(CC)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1-n1ccc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
TPH1 P17752 6/20 0.38
ADORA2A P29274 2/20 0.36
KCNH2 Q12809 4/20 0.36
AHR P35869 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TPH2 Q8IWU9 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
SLC6A2 P23975 2/20 0.34
AGTR1 P30556 2/20 0.34
SLC6A4 P31645 2/20 0.34
CCKAR P32238 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL21366784 0.91 ALDH1A1 (0.38) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL20032387 0.91 KDM4E (0.38) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL18713678 0.90 MAPT (0.39) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL18713652 0.89 KCNH2 (0.39) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL18713794 0.89 MAPT (0.38) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL18713977 0.89 RAB9A (0.40) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL18713756 0.88 MAPT (0.39) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL18713990 0.87 TUBB4A (0.43) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL20032184 0.86 MAPT (0.38) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL18713565 0.86 KCNH2 (0.41) MAPTKDM4EALDH1A1GAARAB9A

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 6 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-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 (6 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 MAPT 4256/4885KDM4E 2437/4885ALDH1A1 433/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MAPT 4256/4885KDM4E 2437/4885ALDH1A1 433/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MAPT 4256/4885KDM4E 2437/4885ALDH1A1 433/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MAPT 4256/4885KDM4E 2437/4885ALDH1A1 433/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MAPT 4256/4885KDM4E 2437/4885ALDH1A1 433/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MAPT 4256/4885KDM4E 2437/4885ALDH1A1 433/4885

“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.