SCHEMBL15001872

SCHEMBL15001872

N#Cc1ccc2c(c1)CCN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ NAMPT P43490 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL15001859 0.96 MEN1 (0.44) MEN1NAMPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL15001867 0.87 SMN1; SMN2 (0.53) MEN1SMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL15001856 0.85 SMN1; SMN2 (0.44) MEN1SMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL15001838 0.83 SMN1; SMN2 (0.42) MEN1SMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL15001846 0.83 ESR1 (0.48) MEN1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL15001850 0.81 KMT2A (0.48) MEN1SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL15001940 0.80 KMT2A (0.62) MEN1ALDH1A1TSHRPOLBKMT2A
SCHEMBL15001863 0.79 KDM4E (0.44) MEN1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL15001835 0.79 TAAR1 (0.47) MEN1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL15001837 0.77 SMN1; SMN2 (0.41) MEN1SMN1; SMN2ALDH1A1POLBKMT2A

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-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 — — US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 — — US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 — — 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-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 MEN1 4793/4885NAMPT 3856/4885SMN1; SMN2 2379/4885

“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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