SCHEMBL5349708

SCHEMBL5349708

CCN1CCc2ccc(N3CCNCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
DRD3 P35462 3/20 0.51
ADRB1 P08588 7/20 0.47
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
POLB P06746 1/20 0.43
HTR5A P47898 1/20 0.43
DRD2 P14416 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40

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
SCHEMBL6617293 0.82 HTR6 (0.51) HTR6DRD3ADRB1MAPTALDH1A1
SCHEMBL23432707 0.75 DRD3 (0.46) HTR6DRD3MAPTALDH1A1DRD2
SCHEMBL4985572 0.74 NOTUM (0.57) HTR6DRD3ADRB1MAPTALDH1A1
SCHEMBL16178582 0.74 DRD3 (0.54) HTR6DRD3ADRB1HTR3EHTR3B
SCHEMBL7202158 0.73 HTR6 (0.61) HTR6DRD3ADRB1HTR3EHTR3B
SCHEMBL4684321 0.73 ADRB1 (0.53) HTR6DRD3ADRB1HTR3EHTR3B
SCHEMBL4689650 0.73 ADRB1 (0.53) HTR6DRD3ADRB1HTR3EHTR3B
SCHEMBL12031043 0.73 ALDH1A1 (0.46) MAPTALDH1A1DRD2
SCHEMBL24783529 0.72 TMEM97 (0.47) HTR6DRD3MAPTALDH1A1SIGMAR1
SCHEMBL20348513 0.71 CHRM2 (0.56) ALDH1A1DRD2

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-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 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-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A HTR6 14/4885DRD3 111/4885ADRB1 69/4885

“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.