SCHEMBL20032459

SCHEMBL20032459

CCC(CC)c1ccc(-c2ccc3nc(OC)ccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L11 O43521 1/20 0.40
BID P55957 1/20 0.40
BCL2L1 Q07817 1/20 0.40
BAK1 Q16611 1/20 0.40
BBC3 Q9BXH1 1/20 0.40
ADORA1 P30542 1/20 0.38
HPGD P15428 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
BACE1 P56817 2/20 0.36
CYP17A1 P05093 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
SRC P12931 1/20 0.35
PDE10A Q9Y233 2/20 0.35
PDGFRB P09619 1/20 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
SCHEMBL21164372 0.88 BCL2L11 (0.40) BCL2L11BIDBCL2L1BAK1BBC3
SCHEMBL16573997 0.79 PDGFRB (0.46) ADORA1HPGDBACE1HDAC2HDAC8
SCHEMBL12695592 0.79 BACE1 (0.57) ADORA1HPGDBACE1CYP17A1PDGFRB
SCHEMBL23848110 0.78 ABCB11 (0.43) BCL2L11BIDBCL2L1BAK1BBC3
SCHEMBL7843173 0.77 L3MBTL1 (0.41) ADORA1HPGDBACE1HDAC2HDAC8
SCHEMBL22276704 0.77 AKR1C3 (0.36) AAK1BACE1CYP17A1AKR1C3AKR1C2
SCHEMBL10366751 0.75 ADORA1 (0.40) ADORA1HPGDBACE1HDAC2HDAC8
SCHEMBL18713725 0.74 NPC1 (0.64) BACE1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL14288343 0.73 CDK4 (0.41) BCL2L11BIDBCL2L1BAK1BBC3
SCHEMBL10366536 0.72 KCNH2 (0.49) ADORA1

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 4 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-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 (4 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 BCL2L11 1636/4885BID 3109/4885BCL2L1 1546/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A BCL2L11 1636/4885BID 3109/4885BCL2L1 1546/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A BCL2L11 1636/4885BID 3109/4885BCL2L1 1546/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A BCL2L11 1636/4885BID 3109/4885BCL2L1 1546/4885

“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.