SCHEMBL5798261

SCHEMBL5798261

COc1ccccc1COCCCI

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
BCHE P06276 6/20 0.46
ACHE P22303 6/20 0.46
TAAR1 Q96RJ0 1/20 0.44
ABCB1 P08183 1/20 0.44
CHRM2 P08172 9/20 0.43
CHRM1 P11229 2/20 0.43
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
TP53 P04637 1/20 0.42
CHRM4 P08173 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CHRM3 P20309 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 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
SCHEMBL16599934 0.95 IDO1 (0.51) IDO1BCHEACHETAAR1ABCB1
SCHEMBL6721551 0.89 IDO1 (0.56) IDO1BCHEACHETAAR1ABCB1
SCHEMBL8193133 0.86 IDO1 (0.53) IDO1BCHEACHETAAR1ABCB1
SCHEMBL1941923 0.83 IDO1 (0.53) IDO1BCHEACHETAAR1ABCB1
SCHEMBL3655669 0.83 IDO1 (0.53) IDO1BCHEACHETAAR1ABCB1
SCHEMBL7956419 0.83 IDO1 (0.53) IDO1BCHEACHETAAR1ABCB1
SCHEMBL7955176 0.81 IDO1 (0.51) IDO1BCHEACHETAAR1ABCB1
Hydrochloric Acid SCHEMBL2473227 0.81 IDO1 (0.54) IDO1BCHEACHETAAR1ABCB1
SCHEMBL26654 0.81 IDO1 (0.69) IDO1BCHEACHETAAR1ABCB1
SCHEMBL17230506 0.80 IDO1 (0.58) IDO1BCHEACHETAAR1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
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
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO 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 IDO1 4079/4885BCHE 2152/4885ACHE 598/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885BCHE 2129/4885ACHE 2043/4885

“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.