SCHEMBL12759031

SCHEMBL12759031

CC(=O)NCC1CN(Cc2ccccc2)CCCO1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
DRD4 P21917 8/20 0.50
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
EPHX2 P34913 1/20 0.47
CCR3 P51677 1/20 0.46
BCHE P06276 2/20 0.46
MAOB P27338 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PDE8B O95263 2/20 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
SCHEMBL1502120 0.93 DRD4 (0.59) ALDH1A1KDM4EPOLBTDP1DRD4
SCHEMBL31260985 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBTDP1DRD4
SCHEMBL2769124 0.83 DRD4 (0.61) ALDH1A1KDM4EPOLBTDP1DRD4
SCHEMBL2770194 0.83 DRD4 (0.61) ALDH1A1KDM4EPOLBTDP1DRD4
SCHEMBL5429645 0.83 DRD4 (0.61) ALDH1A1KDM4EPOLBTDP1DRD4
SCHEMBL7370883 0.81 LMNA (0.58) KDM4EPOLBDRD4DRD2DRD3
SCHEMBL5870772 0.80 DRD4 (0.54) ALDH1A1KDM4EPOLBTDP1DRD4
SCHEMBL13229950 0.79 DRD4 (0.59) ALDH1A1KDM4EDRD4DRD2DRD3
SCHEMBL1810573 0.79 CCR3 (0.67) ALDH1A1KDM4EDRD4DRD3CCR3
SCHEMBL1810572 0.79 CCR3 (0.67) ALDH1A1KDM4EDRD4DRD3CCR3

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-7906510-B2 Amide derivative and pharmaceutical composition containing the same Dainippon Sumito Pharma Co., Ltd. (JP) 2011-03-15 US disclosed
US-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Sumitomo Pharma Co., Ltd. (JP) 2010-09-30 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-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR4, MC2R, HTR1D ALDH1A1 2118/4885KDM4E 4027/4885POLB 4784/4885

“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.