SCHEMBL20032361

SCHEMBL20032361

CCC(CC)c1ccc(Cl)cc1-c1ccnc(N(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PROKR1 Q8TCW9 9/20 0.35
CRHR1 P34998 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CNR2 P34972 1/20 0.32
AGPAT2 O15120 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21366921 0.93 DYRK1A (0.37) DYRK1ASCN9AALDH1A1MAPTL3MBTL1
SCHEMBL18713569 0.88 DYRK1A (0.39) DYRK1ASCN9AALDH1A1MAPTL3MBTL1
SCHEMBL20032189 0.80 MAPT (0.34) DYRK1AALDH1A1MAPTL3MBTL1PROKR1
SCHEMBL16574151 0.77 MAP4K4 (0.45) DYRK1ASCN9AALDH1A1PROKR1ADORA2A
SCHEMBL18713620 0.77 KCNH2 (0.38) CRHR1AGPAT2LMNAHTT
SCHEMBL1743707 0.76 DYRK1A (0.44) DYRK1ASCN9AMAPTPROKR1ADORA2A
SCHEMBL1093987 0.76 DYRK1A (0.44) DYRK1ASCN9AMAPTPROKR1ADORA2A
SCHEMBL20032503 0.75 GCG (0.39) MAPTLMNAHTT
SCHEMBL18713983 0.74 KCNH2 (0.36) ALDH1A1MAPTCRHR1AGPAT2KDM4E
SCHEMBL21164536 0.74 DHFR (0.39) ALDH1A1

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 3 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-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 (3 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 DYRK1A 1189/4885SCN9A 3152/4885ALDH1A1 433/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A DYRK1A 1189/4885SCN9A 3152/4885ALDH1A1 433/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A DYRK1A 1189/4885SCN9A 3152/4885ALDH1A1 433/4885

“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.