SCHEMBL6236934

SCHEMBL6236934

CC[CH]OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PNMT P11086 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
FFAR1 O14842 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
KCNH2 Q12809 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
SCHEMBL6232832 0.79 IDO1 (0.48) IDO1NPC1TAAR1RAB9A
SCHEMBL95626 0.77 IDO1 (0.57) IDO1NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL5778928 0.76 CYP3A4 (0.55) IDO1PNMTTAAR1MAPT
SCHEMBL13518899 0.75 IDO1 (0.59) IDO1NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL791989 0.74 IDO1 (0.63) IDO1NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL30873130 0.73 IDO1 (0.68) IDO1NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL865549 0.73 IDO1 (0.68) IDO1NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL12885103 0.72 IDO1 (0.55) IDO1NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL6327125 0.71 IDO1 (0.50) IDO1NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL7497566 0.71 KDM4E (0.46) ALDH1A1SMN1; SMN2KCNH2

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 3866/4885ALDH1A1 921/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885NPC1 1668/4885ALDH1A1 1486/4885

“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.