SCHEMBL4814558

SCHEMBL4814558

O=C(O)C1CCCCN1CCc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
CYP2C19 P33261 1/20 0.48
GRM2 Q14416 1/20 0.46
GRM3 Q14832 1/20 0.46
SIGMAR1 Q99720 4/20 0.46
SLC18A2 Q05940 1/20 0.46
MC4R P32245 2/20 0.44
MC1R Q01726 2/20 0.44
MC3R P41968 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4A O75164 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL4357303 0.86 LTA4H (0.48) SMN1; SMN2SIGMAR1SLC18A2MC4RMC1R
SCHEMBL2030876 0.83 CYP1A2 (0.73) CYP1A2SMN1; SMN2CYP2C19GRM2GRM3
SCHEMBL29642918 0.83 CYP1A2 (0.73) CYP1A2SMN1; SMN2CYP2C19GRM2GRM3
SCHEMBL1818814 0.83 CYP1A2 (0.73) CYP1A2SMN1; SMN2CYP2C19GRM2GRM3
SCHEMBL29412325 0.83 CYP1A2 (0.73) CYP1A2SMN1; SMN2CYP2C19GRM2GRM3
SCHEMBL2982368 0.79 HRH3 (0.64) CYP1A2SMN1; SMN2CYP2C19CD274
SCHEMBL27206530 0.76 CYP2C19 (0.78) CYP1A2SMN1; SMN2CYP2C19MC4RMC1R
SCHEMBL27191663 0.76 CYP2C19 (0.78) CYP1A2SMN1; SMN2CYP2C19MC4RMC1R
SCHEMBL27191675 0.76 CYP2C19 (0.78) CYP1A2SMN1; SMN2CYP2C19MC4RMC1R
SCHEMBL1116547 0.76 ALDH1A1 (0.56) CYP1A2SMN1; SMN2CYP2C19GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 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 (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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R CYP1A2 2257/4885SMN1; SMN2 3087/4885CYP2C19 1233/4885

“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.