SCHEMBL6236937

SCHEMBL6236937

[CH2]CCOCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.57
NPC1 O15118 3/20 0.45
CYP2D6 P10635 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
PNMT P11086 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
TACR1 P25103 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1109862 0.86 IDO1 (0.59) IDO1NPC1CYP2D6ALDH1A1CYP2C19
SCHEMBL865549 0.85 IDO1 (0.68) IDO1NPC1CYP2D6ALDH1A1CYP2C19
SCHEMBL30873130 0.85 IDO1 (0.68) IDO1NPC1CYP2D6ALDH1A1CYP2C19
SCHEMBL2089672 0.83 IDO1 (0.39) IDO1MAPTSIGMAR1
SCHEMBL12885103 0.82 IDO1 (0.55) IDO1NPC1CYP2D6ALDH1A1CYP2C19
SCHEMBL10458219 0.82 IDO1 (0.55) IDO1NPC1CYP2D6ALDH1A1CYP2C19
SCHEMBL1179573 0.82 IDO1 (0.55) IDO1NPC1CYP2D6ALDH1A1CYP2C19
SCHEMBL1179916 0.82 IDO1 (0.55) IDO1NPC1CYP2D6ALDH1A1CYP2C19
SCHEMBL7228371 0.81 IDO1 (0.53) IDO1NPC1CYP2D6ALDH1A1CYP2C19
SCHEMBL27940425 0.79 IDO1 (0.56) IDO1NPC1CYP2D6ALDH1A1CYP2C19

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
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
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 4079/4885NPC1 3866/4885CYP2D6 3307/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885NPC1 1668/4885CYP2D6 1357/4885

“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.