SCHEMBL13645913

SCHEMBL13645913

COC(=O)c1cc(C2CCNCC2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.48
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 1/20 0.47
PDE4B Q07343 2/20 0.47
TLR7 Q9NYK1 1/20 0.46
QDPR P09417 2/20 0.45
PRMT5 O14744 1/20 0.44
BRPF1 P55201 1/20 0.43
PLAT P00750 1/20 0.43
KDM1A O60341 1/20 0.43
MAPT P10636 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
P2RX7 Q99572 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41

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
Hydrochloric Acid SCHEMBL3861515 0.99 HTR2C (0.49) HTR2CTLR9TLR8PDE4BTLR7
SCHEMBL30842192 0.90 PDE4B (0.49) PDE4BQDPRKDM1APDE4APDE4C
SCHEMBL23635957 0.90 PDE4B (0.49) PDE4BQDPRKDM1APDE4APDE4C
SCHEMBL16991978 0.89 HTR2C (0.48) HTR2CTLR9TLR8PDE4BTLR7
SCHEMBL6191919 0.85 HTR2A (0.55) HTR2CPDE4B
SCHEMBL31135569 0.84 PDE4B (0.45) PDE4BQDPRKDM1APDE4APDE4C
SCHEMBL26101352 0.84 PDE4B (0.45) PDE4BQDPRKDM1APDE4APDE4C
SCHEMBL26103815 0.83 PDE4A (0.56) PDE4BQDPRKDM1APDE4APDE4C
SCHEMBL3867583 0.83 TLR9 (0.50) HTR2CTLR9TLR8QDPRPLAT
Hydrochloric Acid SCHEMBL3167799 0.82 TLR9 (0.49) HTR2CTLR9TLR8QDPRPLAT

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
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 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-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 HTR2C 442/4885TLR9 155/4885TLR8 926/4885

“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.