SCHEMBL21311148

SCHEMBL21311148

Cn1c2c(c3ccccc31)C=CC(C(F)(F)F)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
KIF11 P52732 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.33
ADRA1A P35348 1/20 0.32
RB1 P06400 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPY5R Q15761 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 1/20 0.31
HTR5A P47898 1/20 0.31

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
SCHEMBL21311150 0.82 NPY5R (0.35) MAPK1MAPTSIGMAR1TSHRNPY5R
SCHEMBL19904856 0.79 HTR2A (0.43) GPR3HTR2AHTR2CHSD17B10CYP1A2
SCHEMBL20714093 0.75 GPR3 (0.39) GPR3HTR2AHTR2CHSD17B10CYP1A2
SCHEMBL21730587 0.69 MAOB (0.36) GPR3HTR2AHTR2CKDM4EMAPT
SCHEMBL21781231 0.67 GPR3 (0.36) GPR3KIF11HTR2AHTR2CHSD17B10
SCHEMBL14024612 0.66 GPR3 (0.45) GPR3HTR2AHTR2CHSD17B10CYP1A2
SCHEMBL31434384 0.66 GPR3 (0.45) GPR3HTR2AHTR2CHSD17B10CYP1A2
SCHEMBL21912916 0.66 GPR3 (0.45) GPR3HTR2AHTR2CHSD17B10CYP1A2
SCHEMBL8168602 0.65 HTR2A (0.44) GPR3HTR2AHTR2CHSD17B10CYP1A2
SCHEMBL18594805 0.64 BRD4 (0.34)

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 GPR3 4732/4885KIF11 3214/4885HTR2A 4661/4885

“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.