SCHEMBL1471053

SCHEMBL1471053

CC(C)Oc1cccc(NCCNCc2cccc(C(=O)N3CCCCC3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
GAA P10253 1/20 0.60
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR1B P28222 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.47
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
RECQL P46063 1/20 0.46
HDAC4 P56524 1/20 0.44

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
SCHEMBL1471584 0.90 ALDH1A1 (0.55) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL1473205 0.87 RAB9A (0.53) KMT2AMEN1HTR1ANPC1RAB9A
SCHEMBL1471165 0.86 HTR1A (0.58) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1470745 0.86 HTR1A (0.58) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1471040 0.85 MEN1 (0.61) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1471545 0.85 HTR1A (0.56) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1471320 0.84 KMT2A (0.57) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1471029 0.83 HTR1A (0.59) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1470907 0.83 HPGD (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1471544 0.83 NPC1 (0.56) KMT2AMEN1HTR1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US claimed
JP-2007503440-A 2007-02-22 JP claimed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP claimed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO claimed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US claimed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 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 (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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 KMT2A 472/4885MEN1 4354/4885HTT 207/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 KMT2A 472/4885MEN1 4354/4885HTT 207/4885

“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.