SCHEMBL31397188

SCHEMBL31397188

Cn1c(=O)n(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(N3CCC4(CC3)CNC4)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ KHK P50053 1/20 0.35
▸ HRH4 Q9H3N8 3/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ RIPK1 Q13546 2/20 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
SCHEMBL31397381 0.91 MCHR1 (0.41) MCHR1KCNH2LRRK2KHKHRH4
SCHEMBL30274029 0.88 GRM5 (0.40) MCHR1HRH4GRM5PIK3CAPRKDC
SCHEMBL31397327 0.87 GRM5 (0.37) MCHR1LRRK2HRH4GRM5PIK3CA
SCHEMBL31397300 0.85 GRM5 (0.36) MCHR1KCNH2LRRK2HRH4GRM5
SCHEMBL30273826 0.85 CYP11B2 (0.39) LRRK2GRM5PRMT5
SCHEMBL23541153 0.85 LRRK2 (0.40) MCHR1KCNH2LRRK2HRH4GRM5
SCHEMBL31396978 0.84 TMEM97 (0.36) MCHR1KCNH2LRRK2HRH4GRM5
SCHEMBL31397183 0.84 KHK (0.43) MCHR1KCNH2KHKHRH4GRM5
SCHEMBL31397270 0.84 MCHR1 (0.37) MCHR1KCNH2LRRK2HRH4GRM5
SCHEMBL31397140 0.84 KHK (0.43) MCHR1KCNH2KHKHRH4GRM5

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-20240424111-A1 Degrader Compounds and Uses Thereof CALICO LIFE SCIENCES LLC (US) 2024-12-26 — — 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-20240424111-A1 Degrader Compounds and Uses Thereof PTPN1, PTPN2, PTPN5 MCHR1 868/4885KCNH2 4876/4885LRRK2 805/4885

“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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