SCHEMBL1846168

SCHEMBL1846168

Clc1cccc(OCc2ncc[nH]2)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 8/20 0.55
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ADRA2A P08913 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ RHEB Q15382 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2B P18089 1/20 0.37

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
Hydrochloric Acid SCHEMBL1848659 0.86 TAAR1 (0.53) TAAR1KDM4EADRA2AADRA2CADRA1D
Hydrochloric Acid SCHEMBL1846332 0.86 TAAR1 (0.53) TAAR1KDM4EADRA2AADRA2CADRA1D
SCHEMBL11120154 0.76 TAAR1 (0.44) TAAR1KDM4EADRA2AADRA2CADRA1D
SCHEMBL1845238 0.75 HTR1A (0.42) TAAR1ADRA2AADRA2CTP53SMN1; SMN2
SCHEMBL1332275 0.75 ADRA2A (0.57) TAAR1MRGPRX4KDM4EADRA2AADRA2C
SCHEMBL11188285 0.75 TAAR1 (0.55) TAAR1KDM4ETSHRTDP1ALDH1A1
SCHEMBL955122 0.74 TAAR1 (0.68) TAAR1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL11297233 0.73 TAAR1 (0.57) TAAR1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL7501941 0.72 ADRA2A (0.47) TAAR1KDM4EADRA2AADRA2CADRA1A
SCHEMBL953627 0.71 TAAR1 (1.00) TAAR1ADRA2AADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101762-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. Hoffmann-Roche AG (CH) 2009-09-23 — — EP claimed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 — — WO claimed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 — — US claimed
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
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
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

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-20080146634-A1 2-IMIDAZOLES ABL1, H1-2, IPO4 TAAR1 890/4885MRGPRX4 1126/4885KDM4E 915/4885

“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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