SCHEMBL5122807

SCHEMBL5122807

O=C(Nc1cccc2c1CC(O)CC2)NC1CCCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
GAA P10253 1/20 0.65
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TAS1R3 Q7RTX0 2/20 0.65
TAS1R1 Q7RTX1 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TRPV1 Q8NER1 9/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.56
ATM Q13315 1/20 0.54

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
SCHEMBL5130019 0.94 TRPV1 (0.65) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL428336 0.84 TRPV1 (0.58) TRPV1
SCHEMBL429451 0.84 TRPV1 (0.58) TRPV1
SCHEMBL430783 0.81 TRPV1 (0.57) TRPV1
SCHEMBL431156 0.81 TRPV1 (0.52) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL701314 0.79 TAS1R3 (1.00) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL703637 0.79 TAS1R3 (1.00) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL2317277 0.79 TRPV1 (0.80) TRPV1
SCHEMBL2359763 0.79 TRPV1 (0.80) TRPV1
SCHEMBL430387 0.78 TRPV1 (0.60) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 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-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives NMUR1, GPR17, NMUR2 ALDH1A1 477/4885KDM4E 4837/4885GAA 2560/4885

“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.