SCHEMBL6232812

SCHEMBL6232812

CC[CH]OCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAOB P27338 5/20 0.41
TAAR1 Q96RJ0 3/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.40
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
AOC3 Q16853 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL29008173 0.80 IDO1 (0.55) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL6230374 0.77 IDO1 (0.52) IDO1MAOBTAAR1AOC3MAPT
SCHEMBL98043 0.76 IDO1 (0.55) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL5778566 0.76 IDO1 (0.56) IDO1ALDH1A1TAAR1LMNAAOC3
SCHEMBL5776634 0.74 L3MBTL1 (0.51) IDO1ALDH1A1MAPTTDP1KMT2A
SCHEMBL6420341 0.74 CYP1A2 (0.46) PARP10TDP1NPC1KMT2ARAB9A
SCHEMBL12874173 0.74 IDO1 (0.57) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL17217100 0.73 IDO1 (0.47) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL155804 0.73 IDO1 (0.61) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL31065556 0.72 IDO1 (0.67) IDO1MCL1ALDH1A1MAOBTAAR1

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 4079/4885MCL1 4434/4885ALDH1A1 921/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885MCL1 4645/4885ALDH1A1 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.