SCHEMBL3620882

SCHEMBL3620882

CC[C@](N)(CCC1CCCCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
KMT2A Q03164 1/20 0.53
ARG1 P05089 1/20 0.46
ARG2 P78540 1/20 0.46
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
HSD11B1 P28845 1/20 0.38
HPGD P15428 1/20 0.37
CYP2D6 P10635 1/20 0.36
METAP1 P53582 1/20 0.36
EPHX1 P07099 2/20 0.35
ALOX5 P09917 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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 SCHEMBL4798850 0.98 CYP1A2 (0.52) CYP1A2MEN1ALDH1A1THRBKMT2A
Hydrochloric Acid SCHEMBL4798856 0.98 CYP1A2 (0.52) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL24520182 0.85 GRM2 (0.49) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL27620522 0.79 GGT1 (0.46) CYP1A2ARG1ARG2GRM2GRM3
SCHEMBL8745906 0.77 GRM2 (0.44) GRM2GRM3HPGDCYP2D6METAP1
SCHEMBL27620442 0.77 GGT1 (0.47) CYP1A2ARG1ARG2GRM2GRM3
SCHEMBL10701341 0.77 GRM2 (0.44) GRM2GRM3HPGDCYP2D6METAP1
Hydrochloric Acid SCHEMBL8745883 0.76 GRM2 (0.42) GRM2GRM3HPGDCYP2D6METAP1
SCHEMBL528267 0.75 HPGD (0.40) CYP1A2GRM2GRM3HSD11B1HPGD
SCHEMBL16328206 0.74 GRM2 (0.41) CYP1A2MEN1ALDH1A1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R CYP1A2 252/4885MEN1 1746/4885ALDH1A1 708/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R CYP1A2 265/4885MEN1 2373/4885ALDH1A1 832/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R CYP1A2 252/4885MEN1 1746/4885ALDH1A1 708/4885

“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.