SCHEMBL31397140

SCHEMBL31397140

C[C@@H]1CN(c2ccc3c(c2)n(C)c(=O)n3-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 2/20 0.43
▸ HTR1A P08908 2/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ BRPF1 P55201 2/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MCHR1 Q99705 3/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ FECH P22830 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL31397183 1.00 KHK (0.43) KHKHTR1AHTR1DHTR1BBRPF1
SCHEMBL31397381 0.89 MCHR1 (0.41) KHKHTR1AMCHR1HRH4GRM5
SCHEMBL30273724 0.86 MCHR1 (0.37) MCHR1HRH4GRM5KCNH2PIK3CA
SCHEMBL23541153 0.85 LRRK2 (0.40) BRPF1BRD4MCHR1HRH4GRM5
SCHEMBL31397170 0.84 GRM5 (0.35) ADORA3ADORA2AADORA1MCHR1HRH4
SCHEMBL24819652 0.84 GRM5 (0.35) ADORA3ADORA2AADORA1MCHR1HRH4
SCHEMBL24819651 0.84 GRM5 (0.35) ADORA3ADORA2AADORA1MCHR1HRH4
SCHEMBL31397420 0.84 GRM5 (0.35) ADORA3ADORA2AADORA1MCHR1HRH4
SCHEMBL31397259 0.84 GRM5 (0.35) ADORA3ADORA2AADORA1MCHR1HRH4
SCHEMBL31397188 0.84 MCHR1 (0.36) KHKMCHR1HRH4GRM5KCNH2

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 KHK 890/4885HTR1A 2408/4885HTR1D 2329/4885

“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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