SCHEMBL13173146

SCHEMBL13173146

Cc1nc(OCC(=O)N(C)C2CCN(c3cccnc3)CC2)nc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.48
▸ GPR119 Q8TDV5 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ F10 P00742 5/20 0.39
▸ HRH3 Q9Y5N1 5/20 0.39
▸ F2 P00734 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ PIK3CD O00329 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
SCHEMBL13173230 0.92 NPY5R (0.47) NPY5RGPR119POLBSMN1; SMN2F10
Hydrochloric Acid SCHEMBL2849158 0.92 NPY5R (0.47) NPY5RGPR119POLBSMN1; SMN2F10
SCHEMBL13173130 0.89 POLB (0.48) NPY5RPOLBSMN1; SMN2F10L3MBTL1
SCHEMBL2844426 0.85 GPR119 (0.47) NPY5RGPR119POLBSMN1; SMN2F10
SCHEMBL13173132 0.85 KMT2A (0.48) —
SCHEMBL2841829 0.81 POLB (0.47) NPY5RPOLBSMN1; SMN2F10L3MBTL1
SCHEMBL13478899 0.80 NPY5R (0.58) NPY5RGPR119SMN1; SMN2F10HRH3
SCHEMBL3155541 0.77 KMT2A (0.46) —
SCHEMBL13173165 0.77 POLB (0.39) POLBSMN1; SMN2L3MBTL1PIK3CD
SCHEMBL13173151 0.77 POLB (0.39) POLBSMN1; SMN2L3MBTL1PIK3CD

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-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 — — US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 — — US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 — — 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 (2 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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF NPY5R 86/4885GPR119 625/4885POLB 1778/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 NPY5R 204/4885GPR119 567/4885POLB 1258/4885

“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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