SCHEMBL5336038

SCHEMBL5336038

Cc1cccc([N+](=O)[O-])c1N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.49
ADRB1 P08588 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 5/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
SIRT6 Q8N6T7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 2/20 0.45
HTR1A P08908 1/20 0.45
HTR3A P46098 1/20 0.45

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
SCHEMBL12932481 0.94 SMN1; SMN2 (0.54) SMN1; SMN2TSHRADRB1HSD17B10MAPT
SCHEMBL5092072 0.84 HPGD (0.55) SMN1; SMN2TSHRHSD17B10MAPTPOLB
SCHEMBL1000776 0.83 ALDH1A1 (0.50) SMN1; SMN2TSHRHSD17B10MAPTL3MBTL1
SCHEMBL616143 0.82 ALDH1A1 (0.63) SMN1; SMN2ADRB1MAPTRECQLL3MBTL1
SCHEMBL4782133 0.82 MAPT (0.56) SMN1; SMN2ADRB1MAPTPOLBRECQL
SCHEMBL7374607 0.82 GPR35 (0.47) SMN1; SMN2ADRB1MAPTPOLBRECQL
SCHEMBL3723155 0.82 CYP1A2 (0.54) SMN1; SMN2TSHRHSD17B10MAPTPOLB
SCHEMBL14355748 0.81 ALDH1A1 (0.51) ADRB1MAPTPOLBRECQLL3MBTL1
SCHEMBL336283 0.80 ADRB1 (0.63) ADRB1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL3619375 0.79 SMN1; SMN2 (0.52) SMN1; SMN2ADRB1MAPTPOLBRECQL

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
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R SMN1; SMN2 1943/4885TSHR 156/4885ADRB1 64/4885

“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.