SCHEMBL22845308

SCHEMBL22845308

O=c1c2c(n3nccc3n1Cc1ccccc1)CNCC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.52
HTR2C P28335 3/20 0.46
HTR2A P28223 1/20 0.44
HPGD P15428 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HTR2B P41595 1/20 0.39
CLPP Q16740 1/20 0.38
HTR7 P34969 1/20 0.38
PKN1 Q16512 1/20 0.37
PKN2 Q16513 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
SCHEMBL22845413 0.86 PDE1B (0.49) DPP4HTR2CHTR2AHTR2BCLPP
Acetic Acid SCHEMBL22717314 0.84 PDE1B (0.46) DPP4HTR2CHTR2AHDAC1HDAC6
SCHEMBL22717381 0.80 GNRHR (0.37) DPP4HTR2CHTR2AHTR2B
SCHEMBL22845436 0.76 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL24914845 0.73 CLPP (0.64) CLPP
SCHEMBL22845477 0.71 P2RX3 (0.46) DPP4HDAC1HDAC6
SCHEMBL24914438 0.70 CLPP (0.66) CLPP
SCHEMBL24915173 0.70 CLPP (0.61) CLPP
SCHEMBL24914722 0.70 CLPP (0.67) CLPP
SCHEMBL24915185 0.70 CLPP (0.54) CLPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
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 (3 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL DPP4 361/4885HTR2C 467/4885HTR2A 1702/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL DPP4 361/4885HTR2C 467/4885HTR2A 1702/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL DPP4 361/4885HTR2C 467/4885HTR2A 1702/4885

“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.