SCHEMBL15001867

SCHEMBL15001867

O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ POLB P06746 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALDH1A1 P00352 6/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 1/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL15001856 0.89 SMN1; SMN2 (0.44) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL15001925 0.87 GRM5 (0.50) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL15001846 0.87 ESR1 (0.48) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL15001859 0.87 MEN1 (0.44) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL15001872 0.87 MEN1 (0.47) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL15001835 0.87 TAAR1 (0.47) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL15001838 0.87 SMN1; SMN2 (0.42) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL15001865 0.86 MAPT (0.45) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL15001837 0.86 SMN1; SMN2 (0.41) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL15001940 0.86 KMT2A (0.62) POLBKMT2AMEN1ALDH1A1KDM4E

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 SMN1; SMN2 2379/4885POLB 3617/4885KMT2A 1800/4885

“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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