SCHEMBL6216693

SCHEMBL6216693

NCc1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
CCR5 P51681 1/20 0.49
ABCB1 P08183 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
MAOB P27338 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CFD P00746 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
F11 P03951 1/20 0.46
KLKB1 P03952 1/20 0.46
F7 P08709 1/20 0.46
TPSB2 P20231 1/20 0.46

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
SCHEMBL1654686 0.87 L3MBTL1 (0.48) HTR1ADRD2L3MBTL1LMNAALDH1A1
SCHEMBL30523700 0.87 L3MBTL1 (0.48) HTR1ADRD2L3MBTL1LMNAALDH1A1
SCHEMBL6216285 0.84 ELANE (0.53) HTR1ADRD2L3MBTL1LMNAABCB1
SCHEMBL15583063 0.84 HTR1A (0.51) HTR1ADRD2L3MBTL1LMNACCR5
SCHEMBL7450663 0.84 HTR1A (0.51) HTR1ADRD2L3MBTL1LMNAABCB1
SCHEMBL2568609 0.83 HTR1A (0.67) HTR1ADRD2L3MBTL1LMNAABCB1
SCHEMBL6676106 0.82 MAOB (0.51) HTR1ADRD2L3MBTL1CCR5MAOB
SCHEMBL16797594 0.81 HTR1A (0.53) HTR1ADRD2L3MBTL1LMNAABCB1
SCHEMBL28020148 0.81 HTR1A (0.53) HTR1ADRD2L3MBTL1LMNAABCB1
SCHEMBL18894534 0.81 HTR1A (0.53) HTR1ADRD2L3MBTL1LMNAABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 WO 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-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 HTR1A 608/4885DRD2 2160/4885L3MBTL1 3156/4885

“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.