SCHEMBL20889646

SCHEMBL20889646

CC(C)c1ccc2c(c1)NC(CC(C)c1cccc3c1CCNC3)CC2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 1/20 0.34
▸ PNMT P11086 1/20 0.32
▸ NMT1 P30419 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ MTNR1A P48039 1/20 0.30

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
SCHEMBL21065478 0.82 PNMT (0.39) PNMT
SCHEMBL25060977 0.80 MTNR1A (0.32) MTNR1A
SCHEMBL23329956 0.76 PNMT (0.35) CD44PNMT
SCHEMBL21942491 0.72 PNMT (0.37) PNMT
SCHEMBL21065635 0.71 DRD2 (0.37) PNMT
SCHEMBL19705359 0.71 CD44 (0.50) CD44PNMT
SCHEMBL10169291 0.70 CD44 (0.56) CD44PNMT
SCHEMBL25085610 0.68 CD44 (0.37) CD44PNMTNMT1
SCHEMBL21659168 0.67 ASIC3 (0.35) PNMT
SCHEMBL25085608 0.67 — —

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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — 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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CD44 3525/4885PNMT 2699/4885NMT1 1132/4885

“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.

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