SCHEMBL21164508

SCHEMBL21164508

CCCC(CC)c1ccc(OCC)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
FAAH O00519 2/20 0.35
ACACB O00763 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL20032293 0.90 KDM1A (0.46) KDM1APTGS2PTGS1L3MBTL1MEN1
SCHEMBL20921361 0.86 TAS1R3 (0.48) MEN1KMT2ATUBB1LMNAFFAR1
SCHEMBL21164591 0.83 TAS1R3 (0.35) TAS1R3TAS1R1KCNQ3KCNQ2
SCHEMBL22795845 0.82 PDE2A (0.52)
SCHEMBL21164590 0.81 MAPT (0.42) L3MBTL1MEN1KMT2ANPSR1TUBB1
SCHEMBL18713939 0.81 MAPT (0.40) KDM1AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL19853074 0.80 SHBG (0.39) KCNQ2
SCHEMBL20032280 0.79 FAAH (0.45) L3MBTL1FAAH
SCHEMBL22350128 0.79 TAS1R3 (0.50) KDM1AMEN1KMT2ATUBB1LMNA
SCHEMBL14723891 0.79 GRIN2D (0.31) PTGS2PTGS1TUBB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM1A 1444/4885PTGS2 645/4885PTGS1 125/4885

“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.