SCHEMBL20032280

SCHEMBL20032280

CCCCOc1ccc(C(CC)CC)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.45
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
S1PR1 P21453 2/20 0.38
S1PR2 O95136 1/20 0.38
S1PR3 Q99500 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
CALM1 P0DP23 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL18713939 0.92 MAPT (0.40) FAAHTHRATHRBL3MBTL1
SCHEMBL23627172 0.86 FAAH (0.44) FAAHTHRATHRBGLASMN1; SMN2
SCHEMBL11994372 0.85 FAAH (0.43) FAAHTHRATHRBGLASMN1; SMN2
SCHEMBL20032293 0.85 KDM1A (0.46) FAAHL3MBTL1
SCHEMBL18713324 0.80 FFAR1 (0.38) FAAHTHRATHRBS1PR1
SCHEMBL12189298 0.80 LMNA (0.43)
SCHEMBL21164508 0.79 KDM1A (0.42) FAAHL3MBTL1
SCHEMBL15000495 0.79 THRA (0.49) FAAHTHRATHRBL3MBTL1S1PR1
SCHEMBL20225798 0.79 THRA (0.49) FAAHTHRATHRBL3MBTL1S1PR1
SCHEMBL14723889 0.78 GRIN2D (0.38) FAAHTHRATHRB

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 4 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
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 (4 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 FAAH 160/4885THRA 211/4885THRB 265/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A FAAH 160/4885THRA 211/4885THRB 265/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A FAAH 160/4885THRA 211/4885THRB 265/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A FAAH 160/4885THRA 211/4885THRB 265/4885

“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.