SCHEMBL20032101

SCHEMBL20032101

CCC(CC)c1ccc2nc(SC)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
POLB P06746 2/20 0.32
AKR1C3 P42330 4/20 0.32
AKR1C2 P52895 4/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CASP6 P55212 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL22276704 0.88 AKR1C3 (0.36) CYP1A2POLBAKR1C3AKR1C2ADRA2A
SCHEMBL21366574 0.78 DHODH (0.38) POLBAKR1C3AKR1C2
SCHEMBL21164372 0.74 BCL2L11 (0.40) AKR1C3AKR1C2KDM4EPDE10A
SCHEMBL16573973 0.72 CYP1A2 (0.64) CYP1A2POLBKDM4ELMNACASP6
SCHEMBL14288342 0.71 PDE10A (0.39) CYP1A2KDM4EPDE10A
SCHEMBL14894660 0.70 BACE1 (0.53) CYP1A2POLBKDM4ELMNACASP6
SCHEMBL13086554 0.70 ESR2 (0.50) CYP1A2POLBKDM4ELMNACASP6
SCHEMBL20032264 0.70 ALDH1A1 (0.53) POLBKDM4ELMNASLC6A4
SCHEMBL18713526 0.70 ALDH1A1 (0.33) LMNAADRA2AADRA2BADRA2C
SCHEMBL5188214 0.68 POLB (0.59) CYP1A2POLBKDM4ELMNA

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-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 (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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP1A2 137/4885POLB 4133/4885AKR1C3 157/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP1A2 137/4885POLB 4133/4885AKR1C3 157/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP1A2 137/4885POLB 4133/4885AKR1C3 157/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP1A2 137/4885POLB 4133/4885AKR1C3 157/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP1A2 137/4885POLB 4133/4885AKR1C3 157/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP1A2 137/4885POLB 4133/4885AKR1C3 157/4885

“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.