SCHEMBL6133614

SCHEMBL6133614

COCCCCCCN1CCN(c2ccc(N3CCN(c4ccc(-c5ccc(C(=O)OC)cc5)cc4)CC3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.51
DRD2 P14416 5/20 0.50
HTR7 P34969 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.48
CHKA P35790 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD4 P21917 2/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL6135617 0.92 MAPT (0.51) DRD3MAPTPOLBDRD2HTR7
SCHEMBL6134614 0.90 DRD3 (0.47) DRD3MAPTPOLBDRD2HTR7
SCHEMBL6134389 0.89 DRD3 (0.51) DRD3DRD2HRH3MEN1KMT2A
SCHEMBL6134957 0.88 CTSL (0.47) DRD3POLBALDH1A1HRH3HTT
SCHEMBL5787289 0.86 MAPT (0.59) MAPTPOLBHTR7ALDH1A1TSHR
SCHEMBL6134734 0.86 HRH3 (0.51) DRD3MAPTALDH1A1TSHRHRH3
SCHEMBL6134554 0.85 HRH3 (0.51) DRD3DRD2HRH3MEN1KMT2A
SCHEMBL6134921 0.80 HDAC3 (0.52) DRD3DRD2HTR7HRH3SMN1; SMN2
SCHEMBL63447 0.79 MAPT (0.60) MAPTPOLBHTR7ALDH1A1TSHR
SCHEMBL4652187 0.79 DRD2 (0.61) MAPTPOLBDRD2HTR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 DRD3 3975/4885MAPT 1629/4885POLB 1754/4885

“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.