SCHEMBL5338207

SCHEMBL5338207

CC(C)(C)C(=O)NCc1ccccc1N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.47
DRD2 P14416 4/20 0.47
DRD4 P21917 3/20 0.47
HTR1A P08908 2/20 0.47
DRD3 P35462 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
ADRB1 P08588 3/20 0.44
LIPG Q9Y5X9 2/20 0.44
HTR6 P50406 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41

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
SCHEMBL7540124 0.85 SETDB1 (0.55) BRD9DRD2DRD4HTR1ADRD3
SCHEMBL6990507 0.85 DRD2 (0.48) BRD9DRD2DRD4HTR1ADRD3
Hydrochloric Acid SCHEMBL8335595 0.84 SETDB1 (0.53) BRD9DRD2DRD4HTR1ADRD3
SCHEMBL14355994 0.83 BRD9 (0.48) BRD9DRD2DRD4HTR1ADRD3
SCHEMBL5332614 0.83 HTR1A (0.51) BRD9DRD2DRD4HTR1ADRD3
SCHEMBL5334419 0.80 ALDH1A1 (0.51) BRD9DRD2DRD4HTR1ADRD3
SCHEMBL16814964 0.77 HTR1A (0.55) BRD9DRD2DRD4HTR1ADRD3
SCHEMBL31561598 0.76 HTR1A (0.73) DRD2DRD4HTR1ADRD3HTR2A
SCHEMBL335802 0.76 HTR1A (0.73) DRD2DRD4HTR1ADRD3HTR2A
SCHEMBL28078181 0.76 HTR1A (0.73) DRD2DRD4HTR1ADRD3HTR2A

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 BRD9 3744/4885DRD2 578/4885DRD4 766/4885

“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.