SCHEMBL20032439

SCHEMBL20032439

CCC(CC)c1ccc(Cl)cc1-n1ccc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
TPH1 P17752 19/20 0.40
TPH2 Q8IWU9 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
SLC6A2 P23975 2/20 0.40
AGTR1 P30556 2/20 0.40
SLC6A4 P31645 2/20 0.40
CCKAR P32238 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MLNR O43193 1/20 0.40
NR3C1 P04150 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MC3R P41968 1/20 0.40
HTR3A P46098 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL18713977 0.89 RAB9A (0.40) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL18713732 0.87 KDM4E (0.43) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL18713756 0.85 MAPT (0.39) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL17656955 0.84 MAPT (0.47) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL18713696 0.83 KCNH2 (0.34) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL21164473 0.83 MAPT (0.44) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL20032331 0.83 MAPT (0.39) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL21366580 0.82 KDM4E (0.37) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL18713835 0.82 KCNH2 (0.33) GAAMAPTTPH1TPH2ADORA3
SCHEMBL21366784 0.82 ALDH1A1 (0.38) KDM4EALDH1A1GAAMAPTRAB9A

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 KDM4E 2437/4885ALDH1A1 433/4885GAA 3244/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885GAA 3244/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885GAA 3244/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885GAA 3244/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885GAA 3244/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885GAA 3244/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885GAA 3244/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885GAA 3244/4885

“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.