SCHEMBL4558224

SCHEMBL4558224

Cc1cccc(ON2CCCCC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
NR4A1 P22736 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1A P08908 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL6245335 0.85 TDP1 (0.50) KMT2AMEN1ATMMAPTTDP1
SCHEMBL3158948 0.82 TDP1 (0.51) KMT2AMEN1ATMMAPTTDP1
SCHEMBL4475826 0.78 CTSV (0.39) KMT2AMEN1ATMMAPTUSP2
Pyridine SCHEMBL28255435 0.74 ADRB1 (0.44) CYP2D6HTR1A
SCHEMBL11548078 0.73 CA12 (0.52) KMT2AMEN1ALDH1A1
SCHEMBL29995599 0.73 CA12 (0.52) KMT2AMEN1ALDH1A1
SCHEMBL29593166 0.73 KMT2A (0.43) KMT2AMEN1ATMMAPTTDP1
SCHEMBL11073491 0.73 NCEH1 (0.44) KMT2AMEN1MAPTTDP1LMNA
SCHEMBL16825239 0.71 KDM4E (0.43) KMT2AMEN1ALDH1A1ALOX15LMNA
SCHEMBL11092326 0.70 HRH3 (0.51) KMT2AMEN1MAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569342-B2 Diastereomers of 4-aryloxy-3-hydroxypiperidines BRENTWOOD EQUITIES, LTD. (GB) 2013-10-29 US disclosed
EP-1667972-B1 DIASTEREOMERS OF 4-ARYLOXY-3-HYDROXYPIPERIDINES BRENTWOOD EQUITIES LTD (GB) 2013-06-19 EP disclosed
US-7504419-B2 Diastereomers of 4-aryloxy-3-hydroxypiperidines RATTAN BALVINDER SINGH 2009-03-17 US disclosed
US-20080287500-A1 Diastereomers of 4-aryloxy-3-hydroxypiperidines BRENTWOOD EQUITIES, LTD. 2008-11-20 US disclosed
EP-1667972-A2 DIASTEREOMERS OF 4-ARYLOXY-3-HYDROXYPIPERIDINES BRENTWOOD EQUITIES LTD. (GB) 2006-06-14 EP disclosed
US-20050203136-A1 Diastereomers of 4-aryloxy-3-hydroxypiperidines RATTAN BALVINDER S (GB) 2005-09-15 US disclosed
WO-2005023767-A2 DIASTEREOMERS OF 4-ARYLOXY-3-HYDROXYPIPERIDINES BRENTWOOD EQUITIES LTD. (US) 2005-03-17 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 (2 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-20050203136-A1 Diastereomers of 4-aryloxy-3-hydroxypiperidines HTR2C, HTR4, HTR5A KMT2A 1239/4885MEN1 4392/4885ATM 4810/4885
US-20080287500-A1 Diastereomers of 4-aryloxy-3-hydroxypiperidines HTR2C, HTR4, HTR5A KMT2A 1239/4885MEN1 4392/4885ATM 4810/4885

“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.