SCHEMBL6233836

SCHEMBL6233836

CC(=O)OCCc1ccc2cc(CN)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
YWHAG P61981 1/20 0.40
APP P05067 1/20 0.40
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38

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
SCHEMBL5776297 0.95 CYP1A2 (0.41) SMN1; SMN2CYP1A2NPC1MAPTRAB9A
SCHEMBL13034170 0.85 CYP1A2 (0.53) SMN1; SMN2CYP1A2NPC1MAPTRAB9A
SCHEMBL5626293 0.85 LOXL2 (0.49) SMN1; SMN2NPC1RAB9ATP53CYP3A4
SCHEMBL5691933 0.84 LOXL2 (0.47) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL14070437 0.84 CYP1A2 (0.45) SMN1; SMN2CYP1A2NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL27558956 0.84 CYP1A2 (0.51) SMN1; SMN2CYP1A2NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL27502508 0.84 NOS1 (0.47) SMN1; SMN2NPC1RAB9ATP53CYP3A4
Hydrochloric Acid SCHEMBL27521374 0.83 NOS1 (0.46) SMN1; SMN2NPC1RAB9ATP53CYP3A4
SCHEMBL27558951 0.83 MAOA (0.44) SMN1; SMN2CYP1A2NPC1MAPTRAB9A
SCHEMBL13422217 0.80 PPARA (0.48) ALDH1A1

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 2 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-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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN SMN1; SMN2 4290/4885CYP1A2 2821/4885NPC1 3866/4885

“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.