SCHEMBL5403933

SCHEMBL5403933

Cc1ccc([C@H](CC(=O)NCCN2CCCC2)NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
CCR3 P51677 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MCHR1 Q99705 2/20 0.46
CNR1 P21554 1/20 0.45
UTS2R Q9UKP6 2/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL5418665 1.00 HTR3A (0.53) HTR3AKMT2AMEN1POLBCCR3
SCHEMBL5403939 1.00 HTR3A (0.53) HTR3AKMT2AMEN1POLBCCR3
SCHEMBL5414392 0.93 HTR3A (0.57) HTR3AKMT2AMEN1POLBMCHR1
SCHEMBL5418272 0.93 HTR3A (0.57) HTR3AKMT2AMEN1POLBMCHR1
SCHEMBL5406811 0.93 HTR3A (0.57) HTR3AKMT2AMEN1POLBMCHR1
SCHEMBL5424797 0.91 CNR1 (0.58) HTR3AKMT2AMEN1POLBMCHR1
SCHEMBL5409924 0.90 ALDH1A1 (0.51) HTR3AKMT2AMEN1POLBLMNA
SCHEMBL5414697 0.87 HTR3A (0.64) HTR3AKMT2AMEN1POLBTSHR
SCHEMBL8295531 0.83 RAB9A (0.50) HTR3AKMT2AMEN1POLBLMNA
SCHEMBL14543609 0.83 RAB9A (0.50) HTR3AKMT2AMEN1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US claimed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US claimed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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 (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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 HTR3A 702/4885KMT2A 650/4885MEN1 1713/4885

“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.