SCHEMBL5406828

SCHEMBL5406828

O=C(Nc1ccc(-c2ccccc2)cc1)NC(C(=O)NCCN1CCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 3/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ EPHX2 P34913 5/20 0.53
▸ CNR1 P21554 1/20 0.51
▸ MCHR1 Q99705 2/20 0.49
▸ CHRNA7 P36544 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL5409909 0.89 MCHR1 (0.56) MEN1KMT2APOLBEPHX2CNR1
SCHEMBL8296783 0.82 POLB (0.58) HTR3AMEN1KMT2APOLBEPHX2
SCHEMBL10923255 0.76 KMT2A (0.97) HTR3AMEN1KMT2APOLBCNR1
SCHEMBL5406900 0.76 DRD2 (0.53) MEN1KMT2APOLBRAB9A
SCHEMBL13527422 0.75 HTR3A (1.00) HTR3AMEN1KMT2APOLBCHRNA7
SCHEMBL7238389 0.75 HPGD (0.67) HTR3AMEN1KMT2APOLBEPHX2
SCHEMBL10553825 0.74 KMT2A (1.00) HTR3AMEN1KMT2APOLBCNR1
SCHEMBL10921358 0.74 KMT2A (1.00) HTR3AMEN1KMT2APOLBCNR1
Bromide SCHEMBL10555741 0.74 KMT2A (0.94) HTR3AMEN1KMT2APOLBCNR1
SCHEMBL8296733 0.74 HTR3A (0.59) HTR3AMEN1KMT2APOLBCNR1

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-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
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 — — 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 (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 702/4885MEN1 1713/4885KMT2A 650/4885

“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.

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