SCHEMBL21164366

SCHEMBL21164366

CCCC(CC)c1ccc(Cl)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KEAP1 Q14145 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
SCHEMBL19003642 0.93 ESR1 (0.37) S1PR1ESR1ESR2SLC6A2SLC6A4
SCHEMBL12735675 0.89 S1PR1 (0.41) S1PR1KEAP1
SCHEMBL20459002 0.86 CYP3A4 (0.38) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL21164523 0.81 SLC6A4 (0.36) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL20090990 0.80 KMT2A (0.39) S1PR1SLC6A2SLC6A4SLC6A3KEAP1
SCHEMBL19003641 0.79 L3MBTL1 (0.42)
SCHEMBL20646210 0.79 SKP2 (0.43) ESR1ESR2SLC6A2SLC6A3
SCHEMBL21466596 0.79 ESR1 (0.35) ESR1ESR2
SCHEMBL13093046 0.79 ESR1 (0.44) ESR1ESR2
SCHEMBL27472082 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3

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 S1PR1 166/4885ESR1 3323/4885ESR2 2059/4885

“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.