SCHEMBL1331028

SCHEMBL1331028

O=C(NCCc1ccccc1)c1cccnc1NCCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TYRO3 Q06418 1/20 0.51
▸ MERTK Q12866 1/20 0.51
▸ GAS6 Q14393 1/20 0.51
▸ PKM P14618 1/20 0.51

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
SCHEMBL1330329 0.94 HPGD (0.51) KDM4EHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL6402609 0.84 DRD2 (0.52) SMN1; SMN2
SCHEMBL28701513 0.80 MAPT (0.62) KDM4ELMNAMAPTPOLBSMN1; SMN2
SCHEMBL5947803 0.80 SMN1; SMN2 (0.51) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28713910 0.80 POLB (0.57) KDM4ELMNAGLAHTTPOLB
SCHEMBL13702259 0.79 CHIA (0.51) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28720599 0.77 MAPT (0.80) LMNAMAPTPOLBALDH1A1PKM
SCHEMBL28713905 0.77 SMN1; SMN2 (0.60) KDM4ELMNAGLAPOLBSMN1; SMN2
SCHEMBL16017724 0.76 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1
SCHEMBL28282944 0.74 KDM4E (0.59) KDM4EMAPTHSD17B10SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281871-A1 TAAR1 LIGANDS GALLEY GUIDO (DE) 2011-11-17 — — US disclosed
US-20110281871-A1 TAAR1 LIGANDS GALLEY GUIDO (DE) 2011-11-17 — — US disclosed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 — — US disclosed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 — — US disclosed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 — — US disclosed
EP-2185502-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. Hoffmann-Roche AG (CH) 2010-05-19 — — EP disclosed
WO-2009019149-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 — — WO disclosed
WO-2009019149-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 — — WO disclosed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — 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-20090036452-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 KDM4E 3302/4885LMNA 1818/4885MAPT 1820/4885
US-20110281871-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 KDM4E 3302/4885LMNA 1818/4885MAPT 1820/4885

“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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