SCHEMBL5477335

SCHEMBL5477335

COc1cccc(Oc2cccc(C(=O)NCCCN3CCCCC3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.66
DRD2 P14416 9/20 0.66
MAPT P10636 1/20 0.65
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
CCR3 P51677 1/20 0.61
SMYD2 Q9NRG4 1/20 0.60

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
SCHEMBL14430686 0.96 DRD4 (0.70) DRD4DRD2MAPTCYP2C9CYP2C19
SCHEMBL5473741 0.93 POLB (0.63) DRD4DRD2MAPTCYP2C9CYP2C19
SCHEMBL14430779 0.90 LMNA (0.70) DRD4DRD2CCR3SMYD2
SCHEMBL5476704 0.87 MCHR1 (0.58) DRD4DRD2MAPTSMYD2
SCHEMBL5485422 0.86 DRD4 (0.59) DRD4DRD2MAPTCCR3SMYD2
SCHEMBL5481493 0.86 LMNA (0.59) DRD4DRD2SMYD2
SCHEMBL14430805 0.85 LMNA (0.56) DRD4DRD2MAPTSMYD2
SCHEMBL14430795 0.85 LMNA (0.58) DRD4DRD2CCR3SMYD2
SCHEMBL5474268 0.85 MCHR1 (0.56) DRD4DRD2SMYD2
SCHEMBL5480942 0.84 L3MBTL1 (0.61) DRD4DRD2MAPTSMYD2

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-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A DRD4 12/4885DRD2 5/4885MAPT 983/4885

“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.