SCHEMBL6075445

SCHEMBL6075445

CCc1cc(CC)cc(C2=CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
DRD4 P21917 7/20 0.52
DRD2 P14416 8/20 0.50
DRD3 P35462 5/20 0.50
HTR1A P08908 4/20 0.50
HTR2A P28223 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.50
HDAC4 P56524 1/20 0.49
NAMPT P43490 1/20 0.49
HTR6 P50406 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
MAPK1 P28482 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL6264412 0.86 HTR1A (0.57) KDM4EMAPTDRD4DRD2DRD3
SCHEMBL2395932 0.85 DRD4 (0.67) GAADRD4DRD2DRD3HTR1A
SCHEMBL2395803 0.82 LMNA (0.60) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL6585625 0.82 DRD4 (0.63) GAADRD4DRD2DRD3HTR1A
SCHEMBL29188191 0.82 DRD4 (0.67) GAADRD4DRD2DRD3HTR1A
SCHEMBL7975118 0.81 DRD4 (0.59) KDM4EGAAMAPTDRD4DRD2
SCHEMBL6683584 0.81 MEN1 (0.53) DRD4DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL8346217 0.80 DRD4 (0.58) KDM4EGAAMAPTDRD4DRD2
SCHEMBL10287534 0.80 SIGMAR1 (0.71) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL302477 0.80 DRD4 (0.54) DRD4DRD2DRD3HTR1AHTR2A

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-7115633-B2 Central nervous system disorders; Alzheimer's diseases; eating disorders GLAXOSMITHKLINE S.P.A. (IT) 2006-10-03 US disclosed
US-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics GLAXOSMITHKLINE S.P.A. (IT) 2004-02-12 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-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics OPRK1, OPRL1, OPRM1 KDM4E 1911/4885GAA 4437/4885MAPT 4779/4885

“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.