SCHEMBL1845858

SCHEMBL1845858

CC(Nc1ncc[nH]1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ATP1A1 P05023 3/20 0.44
ATP1B1 P05026 3/20 0.44
ATP1A3 P13637 3/20 0.44
ATP1B2 P14415 3/20 0.44
ATP1A2 P50993 3/20 0.44
ATP1B3 P54709 3/20 0.44
FXYD2 P54710 3/20 0.44
ATP1A4 Q13733 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
FDPS P14324 1/20 0.44

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
SCHEMBL3786576 1.00 GAA (0.46) GAASMN1; SMN2LMNAHSD17B10ATP1A1
SCHEMBL3780558 0.79 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1845819 0.79 KDM4E (0.46) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL1843836 0.79 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL3784547 0.79 KDM4E (0.46) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL1844707 0.78 ADRA2A (0.51) HSD17B10HPGDADRA2AADRA2CADRA1D
SCHEMBL1844705 0.78 ADRA2A (0.51) HSD17B10HPGDADRA2AADRA2CADRA1D
SCHEMBL2625552 0.75
SCHEMBL15131086 0.72 TAAR1 (0.55) SMN1; SMN2LMNAALDH1A1ADRA2AADRA1A
SCHEMBL1844522 0.72 ADRA2A (0.53) LMNAALDH1A1ADRA2AADRA2CADRA1D

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101557810-B Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE 2012-11-21 CN claimed
EP-2101762-B1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) HOFFMANN LA ROCHE (CH) 2011-05-18 EP claimed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US claimed
CN-101557810-A Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE (CH) 2009-10-14 CN claimed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
US-4411700-A AMIDINE DERIVATIVES FUJI PHOTO FILM CO., LTD. (JP) 1983-10-25 US claimed
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2022-09-08 US disclosed
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 US disclosed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 WO disclosed
CN-101557810-B Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE 2012-11-21 CN disclosed
EP-2101762-B1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) HOFFMANN LA ROCHE (CH) 2011-05-18 EP disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2101762-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-4411700-A AMIDINE DERIVATIVES FUJI PHOTO FILM CO., LTD. (JP) 1983-10-25 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 (3 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-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 GAA 3298/4885SMN1; SMN2 425/4885LMNA 4352/4885
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 GAA 3460/4885SMN1; SMN2 441/4885LMNA 4271/4885
US-20080146634-A1 2-IMIDAZOLES ABL1, H1-2, IPO4 GAA 1214/4885SMN1; SMN2 2165/4885LMNA 1410/4885

“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.