SCHEMBL1007650

SCHEMBL1007650

CC1(C)Cc2cc(Cl)cc(N)c2O1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
FFAR4 Q5NUL3 10/20 0.41
DHFR P00374 2/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18768202 0.80 HTR2A (0.52) HTR2AFFAR4DHFRPKMNPSR1
SCHEMBL21634429 0.79 HTR2A (0.38) HTR2ADHFR
SCHEMBL1005341 0.79 HTR2A (0.51) HTR2AFFAR4DHFRPKMNPSR1
SCHEMBL4750485 0.79 HTR2A (0.51) HTR2AFFAR4PKMNPSR1ALDH1A1
SCHEMBL17034856 0.76 HTR2A (0.49) HTR2AFFAR4DHFRPKMNPSR1
SCHEMBL16483443 0.76 HTR2A (0.52) HTR2AFFAR4DHFRPKMNPSR1
SCHEMBL2439246 0.76 HTR2A (0.52) HTR2AFFAR4DHFRPKMNPSR1
SCHEMBL11116337 0.76 HTR2A (0.52) HTR2AFFAR4PKMNPSR1CYP3A4
SCHEMBL4230090 0.75 HTR2A (0.48) HTR2AFFAR4PKMNPSR1
SCHEMBL12035510 0.75 FFAR4 (0.54) HTR2AFFAR4DHFRPKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116265457-B N-oxa condensed ring amide compound and preparation method and application thereof 湖南化工研究院有限公司 2024-09-03 CN disclosed
CN-116265457-A N-oxa condensed ring amide compound and preparation method and application thereof 湖南化工研究院有限公司 2023-06-20 CN disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 HTR2A 1059/4885FFAR4 440/4885DHFR 1806/4885

“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.