SCHEMBL21164591

SCHEMBL21164591

CCCC(CC)c1ccc(OC(C)C)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
P2RX3 P56373 5/20 0.34
SLC6A4 P31645 3/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
NAAA Q02083 1/20 0.33
CSNK2A1 P68400 2/20 0.33
SHBG P04278 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
PDE2A O00408 1/20 0.32

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
SCHEMBL20032393 0.91 KCNQ3 (0.36) P2RX3SLC6A4KCNQ3KCNQ2TRPV3
SCHEMBL17615967 0.85 TAS1R3 (0.32) TAS1R3TAS1R1P2RX3SLC6A4KCNQ3
SCHEMBL20921361 0.84 TAS1R3 (0.48) TAS1R3TAS1R1PPARGPPARA
SCHEMBL21164508 0.83 KDM1A (0.42) TAS1R3TAS1R1KCNQ3KCNQ2
SCHEMBL21276094 0.81 ALDH1A1 (0.41) P2RX3KCNQ3KCNQ2TRPV3NAAA
SCHEMBL22795845 0.81 PDE2A (0.52) PDE2A
SCHEMBL19853074 0.79 SHBG (0.39) KCNQ2SHBG
SCHEMBL22350128 0.78 TAS1R3 (0.50) TAS1R3TAS1R1
SCHEMBL22783705 0.77 GRIN2B (0.36)
SCHEMBL9945957 0.77 KCNQ3 (0.39) P2RX3KCNQ3KCNQ2TRPV3NAAA

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 TAS1R3 2452/4885TAS1R1 1374/4885P2RX3 1431/4885

“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.