SCHEMBL1415461

SCHEMBL1415461

CCC(=O)NCC1Cc2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.47
MTNR1B P49286 6/20 0.47
NPY5R Q15761 2/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
NPY1R P25929 1/20 0.40
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL1415963 0.80 MTNR1A (0.48) MTNR1AMTNR1BNPY5RNPY1RALOX15
SCHEMBL1415271 0.78 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL12716705 0.78 CHRNB2 (0.39) NPY5RDRD2ADRA2CNPY1RKMT2A
SCHEMBL12355698 0.78 CHRNB2 (0.40) NPY5RDRD2ADRA2CNPY1RKMT2A
SCHEMBL1415332 0.78 PNMT (0.49) ADRA2CKMT2AALDH1A1
SCHEMBL2246781 0.77 GPR35 (0.42) NPY5RDRD2ADRA2CNPY1RKMT2A
SCHEMBL2242996 0.73 CHRNB2 (0.35) NPY5RDRD2ADRA2CNPY1RKMT2A
SCHEMBL6633679 0.72 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL7517485 0.71 TDP1 (0.41) KMT2AALOX15TSHRL3MBTL1LMNA
SCHEMBL1082453 0.70 MAPT (0.48) KMT2ATP53TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486984-B2 Aminomethyl substituted bicyclic aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO., KG (DE) 2013-07-16 US disclosed
US-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG 2011-06-16 US disclosed
EP-1809598-B1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-03-16 EP disclosed
EP-1809598-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006040180-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 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-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor CHRNA3, HCRTR2, CRHR2 MTNR1A 81/4885MTNR1B 125/4885NPY5R 100/4885

“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.