SCHEMBL13147000

SCHEMBL13147000

O=C(NC1=NCCC(CCN2CCOCC2)N1)c1cccc(F)c1CCc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL3 P20749 5/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ABCB1 P08183 2/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL13147008 0.87 TDP1 (0.40) BCL3CNR1SMN1; SMN2NPC1TP53
SCHEMBL13146966 0.82 MC4R (0.54) MC4RALDH1A1
SCHEMBL3080769 0.73 ALDH1A1 (0.52) BCL3CNR1SMN1; SMN2NPSR1MC4R
SCHEMBL3080771 0.72 MC4R (0.57) CNR1NPSR1MC4RCNR2ALDH1A1
SCHEMBL3095690 0.65 KDM4E (0.48) BCL3MC4RALDH1A1
SCHEMBL13180382 0.64 MC4R (0.40) NPC1RAB9AMC4RALDH1A1
SCHEMBL3095697 0.64 MC4R (0.65) MC4R
SCHEMBL3082128 0.64 MCL1 (0.54) SMN1; SMN2MC4RTDP1LMNA
SCHEMBL13724364 0.64 MC4R (0.32) BCL3NPC1RAB9AMC4RALDH1A1
SCHEMBL3093429 0.64 MC4R (0.54) SMN1; SMN2MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
EP-1590338-B1 MODULATORS OF MELANOCORTIN RECEPTOR ORE PHARMACEUTICALS INC (US) 2009-08-26 — — EP disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — 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-20070293498-A1 Modulators of melanocortin receptor MC4R, MC1R, MC5R BCL3 1635/4885CNR1 63/4885SMN1; SMN2 1777/4885

“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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