SCHEMBL20032462

SCHEMBL20032462

CCC(CC)c1ccc(-c2ccc3c(c2)CCNC3=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 10/20 0.63
PARP10 Q53GL7 10/20 0.63
GSK3B P49841 1/20 0.46
GRM5 P41594 5/20 0.43
PARP1 P09874 2/20 0.43
PDPK1 O15530 1/20 0.43
MAPKAPK2 P49137 2/20 0.41
CTSC P53634 1/20 0.41

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
SCHEMBL23627230 0.92 PARP11 (0.58) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL18500475 0.89 PARP10 (0.58) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL18713799 0.88 PARP11 (0.62) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL16561672 0.80 PARP10 (0.76) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL8155722 0.78 PARP11 (1.00) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL8167145 0.77 PARP10 (0.76) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL8155744 0.77 PARP10 (0.74) PARP11PARP10GSK3BPARP1PDPK1
SCHEMBL28140768 0.77 PARP11 (0.74) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL8155836 0.77 PARP10 (0.76) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL8161680 0.76 PARP11 (0.68) PARP11PARP10GSK3BGRM5PARP1

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 7 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-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 (7 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 PARP11 685/4885PARP10 1776/4885GSK3B 920/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PARP11 685/4885PARP10 1776/4885GSK3B 920/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PARP11 685/4885PARP10 1776/4885GSK3B 920/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PARP11 685/4885PARP10 1776/4885GSK3B 920/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PARP11 685/4885PARP10 1776/4885GSK3B 920/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PARP11 685/4885PARP10 1776/4885GSK3B 920/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PARP11 685/4885PARP10 1776/4885GSK3B 920/4885

“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.