SCHEMBL20032400

SCHEMBL20032400

CCC(CC)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.51
FFAR1 O14842 1/20 0.44
KDM1A O60341 5/20 0.44
S1PR5 Q9H228 1/20 0.43
ERN1 O75460 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSA P10619 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIPE Q05469 1/20 0.40
CCR5 P51681 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL10148264 0.85 MRGPRX4 (0.56) MRGPRX4FFAR1KDM1AS1PR5ERN1
SCHEMBL6262057 0.84 FFAR4 (0.51) MRGPRX4FFAR1MAPTMAPK1TDP1
SCHEMBL20032293 0.81 KDM1A (0.46) MRGPRX4FFAR1KDM1AL3MBTL1
SCHEMBL18713939 0.78 MAPT (0.40) KDM1AMAPTL3MBTL1
SCHEMBL15729642 0.77 MRGPRX4 (0.49) MRGPRX4FFAR1KDM1AS1PR5ERN1
SCHEMBL4165459 0.77 MRGPRX4 (0.52) MRGPRX4KDM1AS1PR5ERN1MAPT
SCHEMBL4659219 0.77 MRGPRX4 (0.52) MRGPRX4KDM1AS1PR5ERN1MAPT
SCHEMBL18155194 0.77 MAPK1 (0.41) FFAR1MAPTMAPK1TDP1L3MBTL1
SCHEMBL18155331 0.77 ERN1 (0.44) ERN1MAPTMAPK1TDP1L3MBTL1
SCHEMBL15729686 0.77 MRGPRX4 (0.52) MRGPRX4FFAR1KDM1AS1PR5ERN1

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-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-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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MRGPRX4 2854/4885FFAR1 719/4885KDM1A 1444/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MRGPRX4 2854/4885FFAR1 719/4885KDM1A 1444/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MRGPRX4 2854/4885FFAR1 719/4885KDM1A 1444/4885

“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.