SCHEMBL21864682

SCHEMBL21864682

CC(C)CCOc1cc(OCCC(C)C)c(C(=O)NNC(=O)c2cc(C(=O)NCCN(C)C)c(OCCCCCN)cc2OCCCCCN)cc1C(=O)NNC(=O)c1cc(C(=O)NCCN(C)C)c(OCCCCCN)cc1OCCCCCN

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ AOX1 Q06278 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL11947670 1.00 MTNR1A (0.39) MTNR1AMTNR1BL3MBTL1CNR1CNR2
SCHEMBL14295932 1.00 MTNR1A (0.39) MTNR1AMTNR1BL3MBTL1CNR1CNR2
SCHEMBL16284392 1.00 MTNR1A (0.39) MTNR1AMTNR1BL3MBTL1CNR1CNR2
SCHEMBL85885 1.00 MTNR1A (0.39) MTNR1AMTNR1BL3MBTL1CNR1CNR2
SCHEMBL10198852 0.89 MTNR1A (0.46) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL92601 0.88 CNR1 (0.33) MTNR1AMTNR1BL3MBTL1CNR1CNR2
SCHEMBL19445539 0.86 MTNR1A (0.41) MTNR1AMTNR1BHTTSMN1; SMN2MAPK14
SCHEMBL13351617 0.85 HTT (0.40) MTNR1AMTNR1BHTTSMN1; SMN2MAPK14
SCHEMBL12515465 0.85 MTNR1A (0.43) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL12444102 0.85 MTNR1A (0.43) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1

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-10603294-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2020-03-31 — — 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-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 MTNR1A 49/4885MTNR1B 79/4885L3MBTL1 4595/4885

“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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