SCHEMBL4090213

SCHEMBL4090213

CCNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.61
LMNA P02545 2/20 0.58
MAPT P10636 6/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
ATM Q13315 1/20 0.49
KCNMA1 Q12791 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KAT2B Q92831 2/20 0.46
PKM P14618 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
SCHEMBL4086159 0.87 HCAR3 (0.63) HCAR3LMNAMAPTALDH1A1MAPK1
SCHEMBL3512219 0.87 MAPT (0.57) HCAR3LMNAMAPTALDH1A1MAPK1
SCHEMBL31481963 0.87 MAPT (0.57) HCAR3LMNAMAPTALDH1A1MAPK1
SCHEMBL1170111 0.83 HCAR3 (0.66) HCAR3LMNAMAPTALDH1A1MAPK1
SCHEMBL8700674 0.83 MAPT (0.48) HCAR3LMNAMAPTALDH1A1MAPK1
SCHEMBL6250970 0.81 KAT2B (0.66) HCAR3LMNAMAPTALDH1A1MAPK1
SCHEMBL30169708 0.81 HCAR3 (0.63) HCAR3LMNAMAPTALDH1A1MAPK1
SCHEMBL5981763 0.81 HCAR3 (0.63) HCAR3LMNAMAPTALDH1A1MAPK1
SCHEMBL20797635 0.81 KMT2A (0.53) HCAR3LMNAMAPTALDH1A1BCHE
SCHEMBL30016445 0.81 HCAR3 (0.58) HCAR3LMNAMAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
CN-1960973-A 1-(1h-indol-1-yl)-3-(4-methylpiperazin-1-yl)-1-phenyl propan-2-ol derivatives and related compounds as modulators of the norepinephrine(NE) and the serotonine(5-HT) activity and the monoamine reuptake WYETH CORP (US) 2007-05-09 CN disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT HCAR3 1891/4885LMNA 1081/4885MAPT 2326/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT HCAR3 1891/4885LMNA 1081/4885MAPT 2326/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT HCAR3 1891/4885LMNA 1081/4885MAPT 2326/4885

“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.