SCHEMBL22845486

SCHEMBL22845486

CC(C)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCNC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 7/20 0.35
HTR2C P28335 1/20 0.34
CDK7 P50613 4/20 0.33
CCNH P51946 4/20 0.33
MNAT1 P51948 4/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HTR6 P50406 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ALDH1A3 P47895 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
SCHEMBL22845205 0.85 GNRHR (0.38) GNRHRPOLBSIGMAR1HTR2CALDH1A1
SCHEMBL22845219 0.80 HTR2C (0.39) GNRHRSIGMAR1HTR2CALDH1A1HPGD
SCHEMBL22845408 0.77 ALDH1A1 (0.43) ALDH1A1HPGDTSHRHTT
SCHEMBL22717381 0.75 GNRHR (0.37) GNRHRSIGMAR1HTR2CLMNATSHR
SCHEMBL22845210 0.74 ALDH1A1 (0.42) GNRHRPOLBHTR2CALDH1A1LMNA
SCHEMBL24484171 0.73 HSP90AA1 (0.35) HSP90AA1HSP90AB1
SCHEMBL24469835 0.72 CRBN (0.39) HTR2CALDH1A1LMNATSHRHSP90AA1
SCHEMBL22845398 0.72 GNRHR (0.40) GNRHRSIGMAR1HTR2CALDH1A1LMNA
SCHEMBL24470067 0.70 HTR2C (0.35) SIGMAR1HTR2C
SCHEMBL22845487 0.69 HTR2C (0.38) GNRHRSIGMAR1HTR2C

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 2198/4885POLB 3198/4885SIGMAR1 2255/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL GNRHR 2198/4885POLB 3198/4885SIGMAR1 2255/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL GNRHR 2198/4885POLB 3198/4885SIGMAR1 2255/4885

“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.