SCHEMBL21164589

SCHEMBL21164589

CCCC(CC)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.47
OPRM1 P35372 1/20 0.47
HIF1A Q16665 3/20 0.47
LMNA P02545 3/20 0.47
GALR3 O60755 1/20 0.47
ADRB1 P08588 2/20 0.46
ADRA1A P35348 2/20 0.46
TSHR P16473 2/20 0.46
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRB3 P13945 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD1 P21728 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL5563575 0.92 HIF1A (0.50) SLC22A1OPRM1HIF1ALMNAGALR3
SCHEMBL2383072 0.88 HIF1A (0.53) SLC22A1OPRM1HIF1ALMNAGALR3
SCHEMBL8400500 0.86 HIF1A (0.45) SLC22A1OPRM1HIF1ALMNAGALR3
SCHEMBL24406297 0.84 OPRM1 (0.55) SLC22A1OPRM1HIF1ALMNAGALR3
SCHEMBL12438398 0.84 OPRM1 (0.55) SLC22A1OPRM1HIF1ALMNAGALR3
SCHEMBL882235 0.84 OPRM1 (0.55) SLC22A1OPRM1HIF1ALMNAGALR3
SCHEMBL27739296 0.83 DRD3 (0.43) SLC22A1OPRM1HIF1ALMNAGALR3
SCHEMBL2501602 0.82 FFAR1 (0.46) SLC22A1OPRM1HIF1ALMNAGALR3
SCHEMBL2498459 0.82 FFAR1 (0.46) SLC22A1OPRM1HIF1ALMNAGALR3
SCHEMBL11619633 0.81 OPRM1 (0.54) SLC22A1OPRM1HIF1ALMNAGALR3

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 SLC22A1 526/4885OPRM1 511/4885HIF1A 851/4885

“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.