SCHEMBL4086159

SCHEMBL4086159

CCCNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.63
MAPT P10636 6/20 0.58
ALDH1A1 P00352 4/20 0.58
PKM P14618 2/20 0.58
NPC1 O15118 1/20 0.58
CRHBP P24387 1/20 0.58
RAB9A P51151 1/20 0.58
CRHR2 Q13324 1/20 0.58
POLB P06746 2/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
KAT2B Q92831 3/20 0.50
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1170111 0.90 HCAR3 (0.66) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL3515437 0.88 HCAR3 (0.52) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL4090213 0.87 HCAR3 (0.61) HCAR3MAPTALDH1A1PKMPOLB
SCHEMBL5017636 0.84 ALDH1A1 (0.66) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL20797635 0.84 KMT2A (0.53) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL7746062 0.84 ALDH1A1 (0.71) HCAR3MAPTALDH1A1PKMPOLB
SCHEMBL932259 0.84 LMNA (0.68) HCAR3MAPTALDH1A1NPC1RAB9A
SCHEMBL7740530 0.84 BCHE (0.50) HCAR3MAPTALDH1A1PKMPOLB
SCHEMBL10249409 0.83 KAT2B (0.71) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL14063303 0.83 HCAR3 (0.65) HCAR3MAPTALDH1A1PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013065725-A1 PHTHALAMIDE DERIVATIVE, PESTICIDE FOR AGRICULTURAL AND HORTICULTURAL APPLICATIONS WHICH COMPRISES SAID DERIVATIVE, AND METHOD OF UTILIZING SAID PESTICIDE 日本農薬株式会社 (JP) 2013-05-10 WO 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
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 1891/4885MAPT 2326/4885ALDH1A1 284/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT HCAR3 1891/4885MAPT 2326/4885ALDH1A1 284/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT HCAR3 1891/4885MAPT 2326/4885ALDH1A1 284/4885

“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.