SCHEMBL21946945

SCHEMBL21946945

CC(C)Cc1cn2c(n1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ WDR5 P61964 6/20 0.40
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ HTT P42858 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TPH1 P17752 5/20 0.37
▸ TPH2 Q8IWU9 5/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8188906 0.81 LMNA (0.47) LMNAALDH1A1WDR5NPC1RAB9A
SCHEMBL25061139 0.79 LMNA (0.46) LMNAALDH1A1WDR5NPC1RAB9A
SCHEMBL23349372 0.79 LMNA (0.46) LMNAALDH1A1WDR5NPC1RAB9A
SCHEMBL25060981 0.79 LMNA (0.46) LMNAALDH1A1WDR5NPC1RAB9A
SCHEMBL871216 0.77 ALDH1A1 (0.44) LMNAALDH1A1WDR5NPC1RAB9A
SCHEMBL22920064 0.77 ALDH1A1 (0.44) LMNAALDH1A1WDR5NPC1RAB9A
SCHEMBL23349407 0.75 HRH4 (0.34) —
SCHEMBL13455831 0.75 WDR5 (0.46) LMNAALDH1A1WDR5NPC1RAB9A
SCHEMBL2608601 0.75 ALDH1A1 (0.42) LMNAALDH1A1WDR5NPC1RAB9A
SCHEMBL16741185 0.75 ALDH1A1 (0.42) LMNAALDH1A1WDR5NPC1RAB9A

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-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 — — 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-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA LMNA 1180/4885ALDH1A1 895/4885WDR5 1258/4885

“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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