SCHEMBL21164372

SCHEMBL21164372

CCC(CC)c1ccc2nc(OC)ccc2c1

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
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
AKR1C1 Q04828 1/20 0.37
PTGS1 P23219 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NCF1 P14598 1/20 0.36
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL20032459 0.88 BCL2L11 (0.40) BCL2L11BIDBCL2L1BAK1BBC3
SCHEMBL23848110 0.86 ABCB11 (0.43) BCL2L11BIDBCL2L1BAK1BBC3
SCHEMBL14288343 0.81 CDK4 (0.41) BCL2L11BIDBCL2L1BAK1BBC3
SCHEMBL20666274 0.79 CDK4 (0.37) BCL2L11BIDBCL2L1BAK1BBC3
SCHEMBL11832003 0.79 UGT2B7 (0.49) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL11839847 0.75 AKR1C3 (0.37) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL19808389 0.75 CYP1A2 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20032101 0.74 CYP1A2 (0.33) AKR1C3AKR1C2PDE10AKDM4E
SCHEMBL28030276 0.74 ADORA1 (0.41) BCL2L11BIDBCL2L1BAK1BBC3
SCHEMBL11827253 0.74 AKR1C3 (0.61) AKR1C3AKR1C2PTGS1

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20210205305-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-11759462-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.