SCHEMBL6715236

SCHEMBL6715236

COCCCN1C(=O)CCc2cc[c]cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.42
DRD4 P21917 11/20 0.42
DRD3 P35462 11/20 0.42
CHRM2 P08172 10/20 0.42
CHRM4 P08173 10/20 0.42
CHRM5 P08912 10/20 0.42
CHRM1 P11229 10/20 0.42
CHRM3 P20309 10/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6712978 0.90 DRD2 (0.43) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6232112 0.82 DRD2 (0.47) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6234100 0.79 NOTUM (0.40) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6233572 0.79 ALDH1A1 (0.38) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL89081 0.78 TSHR (0.47) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL8265234 0.77 ATAD2 (0.50) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6721467 0.77 GRIN1 (0.42) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6720008 0.77 LMNA (0.43) HPGD
SCHEMBL4602089 0.76 REN (0.49) DRD2
SCHEMBL6714618 0.76 REN (0.47) DRD2DRD4DRD3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (2 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN DRD2 830/4885DRD4 1906/4885DRD3 1151/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 DRD2 2820/4885DRD4 3854/4885DRD3 2808/4885

“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.