SCHEMBL21164277

SCHEMBL21164277

CCC(CC)c1ccc(OCC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
NQO1 P15559 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
XDH P47989 1/20 0.36
CASP1 P29466 1/20 0.35
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP17A1 P05093 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDK2 Q15119 1/20 0.34
PRKCA P17252 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
SCHEMBL18713516 0.83 ALDH1A1 (0.56) NQO1ALDH1A1TSHRCASP1CYP26A1
SCHEMBL13141341 0.81 NQO1 (0.48) NQO1ALDH1A1TSHRXDHCYP3A4
SCHEMBL11951583 0.80 KMT2A (0.45) ALDH1A1CYP26A1CYP3A4CYP17A1CYP2C9
SCHEMBL12188825 0.79 NQO1 (0.64) FFAR1NQO1ADRA2AADRA2BADRA2C
SCHEMBL27652186 0.77 CYP3A4 (0.38) NQO1ALDH1A1TSHRXDHCYP26A1
SCHEMBL18713940 0.76 LTA4H (0.50) ALDH1A1
SCHEMBL18713816 0.74 NQO1 (0.56) FFAR1NQO1ALDH1A1TSHRXDH
SCHEMBL20032067 0.74 MAPT (0.45) FFAR1NQO1ADRA2AADRA2BADRA2C
SCHEMBL18710642 0.74 CYP2C9 (0.46) FFAR1ALDH1A1ESR1ESR2CYP17A1
SCHEMBL13179267 0.74 LTA4H (0.52) NQO1ALDH1A1CYP2C9CYP2C19

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-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 (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 FFAR1 719/4885NQO1 710/4885ADRA2A 324/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A FFAR1 719/4885NQO1 710/4885ADRA2A 324/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A FFAR1 719/4885NQO1 710/4885ADRA2A 324/4885

“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.