SCHEMBL20032487

SCHEMBL20032487

CCOc1ccc(-c2ccc(C(CC)CC)c(-n3ccc(C)n3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
CRHR1 P34998 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NQO1 P15559 1/20 0.34
XDH P47989 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MLNR O43193 1/20 0.34
NR3C1 P04150 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TPH1 P17752 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
SCHEMBL21366761 0.93 PKM (0.39) PKMKDM4EALDH1A1GAAMAPT
SCHEMBL21366797 0.92 CYP19A1 (0.37) PKMKDM4EALDH1A1GAAMAPT
SCHEMBL20032475 0.91 NPSR1 (0.38) PKMKDM4EALDH1A1GAAMAPT
SCHEMBL20032473 0.90 DYRK1A (0.40) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL20032479 0.90 KDM4E (0.35) PKMKDM4EALDH1A1GAAMAPT
SCHEMBL18713746 0.90 RXRA (0.41) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL18713753 0.89 PKM (0.41) PKMKDM4EALDH1A1GAAMAPT
SCHEMBL18713621 0.89 MAPT (0.38) PKMKDM4EALDH1A1GAAMAPT
SCHEMBL20032437 0.87 RAB9A (0.42) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL18713615 0.87 FGFR1 (0.44) PKMKDM4EALDH1A1GAAMAPT

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 PKM 1448/4885KDM4E 2437/4885ALDH1A1 433/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PKM 1448/4885KDM4E 2437/4885ALDH1A1 433/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PKM 1448/4885KDM4E 2437/4885ALDH1A1 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.