SCHEMBL13698437

SCHEMBL13698437

CC(=O)c1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPT P10636 8/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ POLB P06746 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.45
▸ HSD11B1 P28845 1/20 0.43
▸ TSHR P16473 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
SCHEMBL13698420 0.80 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2USP2
SCHEMBL13698417 0.80 KMT2A (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17669252 0.79 MAPT (0.71) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15801114 0.79 MAPT (0.71) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13698426 0.77 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2USP2
SCHEMBL13698453 0.77 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2USP2
SCHEMBL3968371 0.75 KMT2A (0.74) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13698424 0.74 MEN1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3453846 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2USP2HSD11B1TSHR
SCHEMBL336009 0.73 NPC1 (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 — — US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 — — US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 — — US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 — — 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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KMT2A 1668/4885MEN1 3939/4885ALDH1A1 2270/4885

“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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