SCHEMBL25928005

SCHEMBL25928005

COC(=O)[C@H]1CC[C@H](N(C)Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GRIN2B Q13224 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SLC18A3 Q16572 1/20 0.44
OPRM1 P35372 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
AGTR2 P50052 1/20 0.43

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
SCHEMBL8949097 1.00 ALDH1A1 (0.50) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL13240737 0.87 ALDH1A1 (0.51) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL1543215 0.87 ALDH1A1 (0.51) ALDH1A1MAPTHPGDNPSR1HSD17B10
Hydrochloric Acid SCHEMBL1543621 0.86 ALDH1A1 (0.50) ALDH1A1MAPTHPGDNPSR1HSD17B10
Hydrochloric Acid SCHEMBL1543620 0.86 ALDH1A1 (0.50) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL2370606 0.86 ALDH1A1 (0.50) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL29173102 0.85 MEN1 (0.51) ALDH1A1GRIN2BKMT2AMEN1SLC18A3
SCHEMBL1536103 0.83 ALDH1A1 (0.47) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL31630375 0.83 ALDH1A1 (0.47) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL1536115 0.83 ALDH1A1 (0.47) ALDH1A1MAPTHPGDNPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233557-A1 FORMULATIONS COMPRISING HETEROCYCLIC PROTEIN KINASE INHIBITORS SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-07-27 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 (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-20230233557-A1 FORMULATIONS COMPRISING HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, GK, PIM2 ALDH1A1 4536/4885MAPT 2290/4885HPGD 1564/4885

“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.