SCHEMBL1750918

SCHEMBL1750918

CC(C)(C)[Si](C)(C)OCc1cc(/C=C/[N+](=O)[O-])ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 7/20 0.47
▸ TLR4 O00206 6/20 0.42
▸ TLR2 O60603 6/20 0.42
▸ MAOA P21397 5/20 0.42
▸ MAOB P27338 5/20 0.42
▸ VCP P55072 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ GALR2 O43603 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ABL1 P00519 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
SCHEMBL1750919 1.00 FBP1 (0.47) FBP1TLR4TLR2MAOAMAOB
SCHEMBL4686284 0.81 TLR4 (0.49) FBP1TLR4TLR2MAOAMAOB
SCHEMBL4686288 0.81 TLR4 (0.49) FBP1TLR4TLR2MAOAMAOB
SCHEMBL662384 0.81 ALDH1A1 (0.42) ALDH1A1LMNAMAPT
SCHEMBL17494688 0.79 BACE1 (0.41) ALDH1A1
SCHEMBL21979436 0.79 HSD17B10 (0.45) RAB9AALDH1A1LMNAMAPTHTT
SCHEMBL1750775 0.78 BACE1 (0.39) —
SCHEMBL661663 0.78 FDPS (0.39) —
SCHEMBL661662 0.78 FDPS (0.39) —
SCHEMBL1751998 0.76 RAB9A (0.45) NPC1RAB9AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 — — US disclosed
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 — — US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 — — US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 — — US disclosed
CN-101379033-A Secondary amines ACTELION PHARMACEUTICALS LTD (CH) 2009-03-04 — — CN disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 — — 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 (3 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 FBP1 1561/4885TLR4 4062/4885TLR2 4052/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 FBP1 1755/4885TLR4 3864/4885TLR2 4010/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 FBP1 2706/4885TLR4 4389/4885TLR2 4564/4885

“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.

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