SCHEMBL6721432

SCHEMBL6721432

c1ccc(COc2ccc(N3CCNC[C@@H]3COc3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.51
▸ SLC6A2 P23975 12/20 0.50
▸ SLC6A4 P31645 12/20 0.50
▸ SLC6A3 Q01959 11/20 0.50
▸ KCNH2 Q12809 3/20 0.45
▸ MCHR1 Q99705 2/20 0.45
▸ MAOB P27338 1/20 0.45
▸ HTR3A P46098 1/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ REN P00797 2/20 0.42

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
SCHEMBL6721667 0.90 REN (0.54) SLC6A2SLC6A4SLC6A3REN
SCHEMBL6719840 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL12723100 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL1586771 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2MCHR1
Hydrochloric Acid SCHEMBL1587068 0.85 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2MCHR1
SCHEMBL6717253 0.81 REN (0.53) REN
SCHEMBL6824940 0.80 REN (0.54) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL6724579 0.80 REN (0.54) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL6724371 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAOBCYP2D6
SCHEMBL6724774 0.80 REN (0.56) REN

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-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 — — US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 — — WO disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 — — WO 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 ALOX5 2214/4885SLC6A2 1310/4885SLC6A4 1940/4885

“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.

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