SCHEMBL22845205

SCHEMBL22845205

Cc1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCNC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.38
HTR2C P28335 1/20 0.36
POLB P06746 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GRM1 Q13255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
F12 P00748 1/20 0.34
HTR6 P50406 3/20 0.33
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL22845486 0.85 GNRHR (0.36) GNRHRHTR2CPOLBHSP90AA1HSP90AB1
SCHEMBL22845408 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDCASP1CASP7
SCHEMBL22845219 0.83 HTR2C (0.39) GNRHRHTR2CUSP2ALDH1A1CYP1A2
SCHEMBL22717381 0.77 GNRHR (0.37) GNRHRHTR2CHSP90AA1HSP90AB1HTR6
SCHEMBL22845210 0.77 ALDH1A1 (0.42) GNRHRHTR2CPOLBSMN1; SMN2USP2
SCHEMBL24469835 0.77 CRBN (0.39) HTR2CHSP90AA1HSP90AB1SMN1; SMN2ALDH1A1
SCHEMBL22845398 0.77 GNRHR (0.40) GNRHRHTR2CHSP90AA1HSP90AB1ALDH1A1
SCHEMBL24470067 0.74 HTR2C (0.35) HTR2CCYP3A4SIGMAR1
SCHEMBL24469920 0.71 HSP90AA1 (0.35) HSP90AA1HSP90AB1
SCHEMBL24469782 0.71 HSP90AA1 (0.35) HSP90AA1HSP90AB1

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 GNRHR 2198/4885HTR2C 467/4885POLB 3198/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL GNRHR 2198/4885HTR2C 467/4885POLB 3198/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL GNRHR 2198/4885HTR2C 467/4885POLB 3198/4885

“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.