SCHEMBL4781313

SCHEMBL4781313

Cc1c[c]cc(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ CRHBP P24387 2/20 0.50
▸ CRHR2 Q13324 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ KHK P50053 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL5897129 0.81 HRH4 (0.55) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL7676555 0.79 CYP1A2 (0.50) KMT2ACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL5896965 0.77 HRH3 (0.43) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL5897044 0.76 HRH4 (0.50) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL27892245 0.74 KMT2A (0.46) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL970205 0.73 KMT2A (0.67) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL1515189 0.73 HTR3E (0.66) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL9885000 0.73 KMT2A (0.53) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL12110419 0.71 KMT2A (0.65) KMT2ACRHBPCRHR2NPSR1HRH4
Ammonia Solution, Strong SCHEMBL28507641 0.71 HTR3E (0.64) KMT2ACRHBPCRHR2NPSR1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 — — US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 — — US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 — — WO 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 KMT2A 3984/4885CRHBP 4777/4885CRHR2 4249/4885

“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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