SCHEMBL5334419

SCHEMBL5334419

O=C(NCc1ccccc1N1CCNCC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HTR1A P08908 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 2/20 0.49
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
SCN2A Q99250 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRB1 P08588 1/20 0.46

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
SCHEMBL788039 0.87 CHRM3 (0.57) ALDH1A1HTR1ADRD2DRD4DRD3
SCHEMBL7540124 0.83 SETDB1 (0.55) HTR1ASLC6A2SLC6A4SLC6A3DRD2
Hydrochloric Acid SCHEMBL8335595 0.82 SETDB1 (0.53) ALDH1A1HPGDHTR1ASLC6A2SLC6A4
SCHEMBL14355994 0.81 BRD9 (0.48) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL5332614 0.81 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL5338207 0.80 BRD9 (0.47) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL7947475 0.80 KMT2A (0.52) ALDH1A1HPGDHTR1ADRD2DRD4
SCHEMBL6990507 0.78 DRD2 (0.48) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL13212055 0.77 POLB (0.62) ALDH1A1HPGDDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6795735 0.77 OPRD1 (0.53) HTR1ASLC6A2SLC6A4SLC6A3DRD2

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 ALDH1A1 1055/4885HPGD 1686/4885HTR1A 77/4885

“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.