SCHEMBL92601

SCHEMBL92601

CC(C)CCOc1cc(OCCC(C)C)c(C(=O)NNC(C)(C)C(=O)c2cc(C(=O)NCCN(C)C)c(OCCCCN)cc2OCCCCN)cc1C(=O)NNC(=O)c1cc(C(=O)C(C)(C)NCCN(C)C)c(OCCCCCN)cc1OCCCCCN

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CHEK2 O96017 1/20 0.30

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 0.88 MTNR1A (0.39) CNR1CNR2MTNR1AMTNR1BL3MBTL1
SCHEMBL21864682 0.88 MTNR1A (0.39) CNR1CNR2MTNR1AMTNR1BL3MBTL1
SCHEMBL14295932 0.88 MTNR1A (0.39) CNR1CNR2MTNR1AMTNR1BL3MBTL1
SCHEMBL85885 0.88 MTNR1A (0.39) CNR1CNR2MTNR1AMTNR1BL3MBTL1
SCHEMBL16284392 0.88 MTNR1A (0.39) CNR1CNR2MTNR1AMTNR1BL3MBTL1
SCHEMBL10198852 0.79 MTNR1A (0.46) MTNR1AMTNR1BHTTTHRATHRB
SCHEMBL12444102 0.77 MTNR1A (0.43) MTNR1AMTNR1BHTTSMN1; SMN2CHEK2
SCHEMBL19445539 0.76 MTNR1A (0.41) MTNR1AMTNR1BMAPK14HTTTHRA
SCHEMBL13351617 0.75 HTT (0.40) MTNR1AMTNR1BMAPK14HTTSMN1; SMN2
SCHEMBL12515465 0.75 MTNR1A (0.43) MTNR1AMTNR1BHTTSMN1; SMN2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-8129566-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2012-03-06 — — US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — US disclosed
US-20110124664-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2011-05-26 — — 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 (3 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-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 CNR1 996/4885CNR2 772/4885MTNR1A 748/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 CNR1 996/4885CNR2 772/4885MTNR1A 748/4885
US-20110124664-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF CNR1 2408/4885CNR2 2031/4885MTNR1A 1915/4885

“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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