SCHEMBL22845219

SCHEMBL22845219

O=c1c2c(n3ncc(Cc4ccccc4)c3n1-c1ccccc1)CNCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.39
HTR2A P28223 4/20 0.37
GNRHR P30968 1/20 0.36
HTR2B P41595 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP3A4 P08684 3/20 0.33
ADRB2 P07550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR3A P46098 1/20 0.33
MCHR1 Q99705 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
MEN1 O00255 2/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CASP1 P29466 2/20 0.32
CYP2C19 P33261 2/20 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
SCHEMBL22845210 0.90 ALDH1A1 (0.42) HTR2CHTR2AGNRHRCYP3A4MCHR1
SCHEMBL24469835 0.88 CRBN (0.39) HTR2CCYP3A4MCHR1ALDH1A1CASP1
SCHEMBL24470067 0.85 HTR2C (0.35) HTR2CHTR2AHTR2BSIGMAR1CYP3A4
SCHEMBL22845205 0.83 GNRHR (0.38) HTR2CGNRHRSIGMAR1CYP3A4USP2
SCHEMBL22845486 0.80 GNRHR (0.36) HTR2CGNRHRSIGMAR1ALDH1A1HPGD
SCHEMBL24469924 0.79 HTR2C (0.34) HTR2CSIGMAR1CYP3A4ADRB2CHRM3
SCHEMBL22845487 0.77 HTR2C (0.38) HTR2CHTR2AGNRHRHTR2BNPC1
SCHEMBL22717418 0.77 EGLN1 (0.37) CHRM3
SCHEMBL22845408 0.77 ALDH1A1 (0.43) NPC1RAB9AALDH1A1CASP1CASP7
SCHEMBL22717381 0.77 GNRHR (0.37) HTR2CHTR2AGNRHRHTR2BSIGMAR1

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-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL HTR2C 467/4885HTR2A 1702/4885GNRHR 2198/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL HTR2C 467/4885HTR2A 1702/4885GNRHR 2198/4885

“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.