SCHEMBL18045643

SCHEMBL18045643

c1ccc2c(c1)CCc1ccccc1C2[C@@H]1CO1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
RET P07949 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
ACP3 P15309 1/20 0.42
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
IDO1 P14902 2/20 0.38
PDPK1 O15530 1/20 0.38
PRCP P42785 1/20 0.37

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
SCHEMBL30096678 1.00 HTR2A (0.45) HTR2ARETSIGMAR1ACP3CHRM1
SCHEMBL23832807 1.00 HTR2A (0.45) HTR2ARETSIGMAR1ACP3CHRM1
SCHEMBL19997052 0.81 HTR2A (0.56) HTR2ARETSIGMAR1ACP3IDO1
SCHEMBL25076290 0.77 SIGMAR1 (0.41) HTR2ARETSIGMAR1ACP3ADRA2B
SCHEMBL16559390 0.76 ALDH1A1 (0.50) HTR2ASIGMAR1CHRM1DRD2ADRA2B
SCHEMBL25076717 0.75 CHRNA7 (0.36) HTR2ARETSIGMAR1ACP3IDO1
SCHEMBL23832773 0.75 HTR2A (0.46) HTR2ARETSIGMAR1DRD2HTR2C
SCHEMBL25076280 0.74 HTR2A (0.39) HTR2ARETSIGMAR1IDO1
SCHEMBL25076414 0.74 SIGMAR1 (0.41) HTR2ARETSIGMAR1CHRM1DRD2
SCHEMBL25076342 0.74 HTR2A (0.39) HTR2ARETSIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208045-B2 Aza-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-02-19 US disclosed
US-20160264581-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2016-09-15 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 (2 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-10208045-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK HTR2A 2492/4885RET 2410/4885SIGMAR1 4315/4885
US-20160264581-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK HTR2A 2492/4885RET 2410/4885SIGMAR1 4315/4885

“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.