SCHEMBL10076419

SCHEMBL10076419

CC(Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 2/20 0.69
ADRA2C P18825 2/20 0.69
ADRA1A P35348 2/20 0.69
OPRK1 P41145 2/20 0.69
SLC6A2 P23975 1/20 0.69
HTR2A P28223 1/20 0.69
SLC6A4 P31645 1/20 0.69
SLC6A3 Q01959 1/20 0.69
KCNH2 Q12809 1/20 0.69
CRHBP P24387 2/20 0.58
CRHR2 Q13324 2/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAOB P27338 5/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MC4R P32245 1/20 0.49
SIGMAR1 Q99720 4/20 0.49

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
Benzphetamine SCHEMBL19285634 0.83 ADRA2B (1.00) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Benzphetamine SCHEMBL678807 0.83 ADRA2B (1.00) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Benzphetamine SCHEMBL49120 0.83 ADRA2B (1.00) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Benzphetamine SCHEMBL260091 0.81 ADRA2B (0.96) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Benzphetamine SCHEMBL265137 0.81 ADRA2B (0.96) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Benzphetamine SCHEMBL6272098 0.81 ADRA2B (0.96) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Benzphetamine SCHEMBL28360250 0.81 ADRA2B (0.96) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL28685757 0.80 SLC6A4 (0.51) SLC6A4KCNH2CRHBPCRHR2MEN1
SCHEMBL3143221 0.80 CRHBP (0.71) OPRK1KCNH2CRHBPCRHR2MEN1
Hydrochloric Acid SCHEMBL11635786 0.80 ADRA2B (0.46) ADRA2BADRA2CADRA1AOPRK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 US disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ADRA2B 49/4885ADRA2C 175/4885ADRA1A 193/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ADRA2B 49/4885ADRA2C 175/4885ADRA1A 193/4885

“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.