SCHEMBL3441980

SCHEMBL3441980

Clc1ccc(CC2CNC=N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.35
ADRA2A P08913 1/20 0.35
ALDH1A1 P00352 1/20 0.34
REN P00797 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
PGC P20142 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL3441527 0.83 TAAR1 (0.37) ALDH1A1SLC6A4
SCHEMBL3441576 0.81 ADRA2A (0.42) ADRA2A
SCHEMBL3441782 0.81 ADRA2A (0.42) ADRA2A
SCHEMBL3441577 0.81 ADRA2A (0.42) ADRA2A
SCHEMBL6954690 0.73 SLC6A2 (0.41) ADRA2ACYP3A4CYP2D6CYP2C9SLC6A2
SCHEMBL7805384 0.69 HTR3A (0.39) RENCYP3A4CYP2D6CYP2C9SLC6A2
SCHEMBL11547375 0.68 SLC6A3 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL3914733 0.67 SLC6A4 (0.50) ALDH1A1RENCYP3A4CYP2D6CYP2C9
SCHEMBL4161319 0.66 MLNR (0.36) REN
Hydrochloric Acid SCHEMBL29090963 0.66 SLC6A4 (0.49) ALDH1A1RENCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812047-B2 4-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-10-12 US disclosed
US-7812047-B2 4-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-10-12 US disclosed
US-7812047-B2 4-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-10-12 US disclosed
EP-2173719-A1 4-IMIDAZOLINES AND THEIR USE AS ANTIDEPRESSANTS F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
CN-101687811-A 4-imidazolines and as the application of antidepressive HOFFMANN LA ROCHE 2010-03-31 CN disclosed
US-20090012138-A1 4-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012138-A1 4-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012138-A1 4-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 US disclosed
WO-2009003867-A1 4-IMIDAZOLINES AND THEIR USE AS ANTIDEPRESSANTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 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 (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-20090012138-A1 4-IMIDAZOLINES TAAR1, TAAR5, GPR119 CMA1 2462/4885ADRA2A 69/4885ALDH1A1 612/4885

“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.