SCHEMBL20032063

SCHEMBL20032063

CCC(CC)c1cccc(C(=O)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.43
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ERN1 O75460 2/20 0.41
KIF11 P52732 1/20 0.41
CYP3A4 P08684 2/20 0.40
MAP4K1 Q92918 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KCNH2 Q12809 1/20 0.40
LOX P28300 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
CXCR1 P25024 3/20 0.38
CXCR2 P25025 3/20 0.38
MAPT P10636 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38

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
SCHEMBL13144238 0.85 HDAC4 (0.51) KCNA5HPGDTDP1MEN1KMT2A
SCHEMBL20032299 0.85 HPGD (0.61) HPGDTDP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12569950 0.83 KMT2A (0.47) HPGDTDP1MEN1KMT2ACYP3A4
SCHEMBL19591207 0.82 HPGD (0.40) KCNA5HPGDTDP1MEN1KMT2A
SCHEMBL4734654 0.81 RXRA (0.47) KCNA5HPGDTDP1ERN1CYP3A4
SCHEMBL13951835 0.81 ANPEP (0.57) HPGDKMT2ACYP3A4CXCR1CXCR2
SCHEMBL10250767 0.81 LMNA (0.47) HPGDTDP1MEN1KMT2ACYP3A4
SCHEMBL29737497 0.79 PARP1 (0.52) TDP1MEN1KMT2ACYP3A4HDAC8
SCHEMBL20032296 0.79 PARP1 (0.52) TDP1MEN1KMT2ACYP3A4HDAC8
SCHEMBL13814506 0.79 HDAC8 (0.58) HPGDERN1KIF11HDAC8HDAC6

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 KCNA5 3294/4885HPGD 140/4885TDP1 1225/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNA5 3294/4885HPGD 140/4885TDP1 1225/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNA5 3294/4885HPGD 140/4885TDP1 1225/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNA5 3294/4885HPGD 140/4885TDP1 1225/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KCNA5 3294/4885HPGD 140/4885TDP1 1225/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KCNA5 3294/4885HPGD 140/4885TDP1 1225/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNA5 3294/4885HPGD 140/4885TDP1 1225/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KCNA5 3294/4885HPGD 140/4885TDP1 1225/4885

“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.