SCHEMBL13698426

SCHEMBL13698426

Fc1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HTT P42858 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP2A13 Q16696 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ USP2 O75604 1/20 0.43
▸ POLB P06746 1/20 0.42

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 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1MAPTTDP1
SCHEMBL13698453 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNATDP1CYP2A13
SCHEMBL3453846 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRTDP1CYP2A13
SCHEMBL7719152 0.77 ALDH1A1 (0.53) ALDH1A1HTTMAPTLMNAMAPK1
SCHEMBL13698424 0.77 MEN1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13698437 0.77 KMT2A (0.54) ALDH1A1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL10373626 0.75 MAPT (0.77) ALDH1A1SMN1; SMN2HTTTSHRNPSR1
SCHEMBL13698423 0.74 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRNPSR1TDP1
SCHEMBL13698436 0.72 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL13698460 0.72 HSD11B1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAMEN1

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 ALDH1A1 2270/4885SMN1; SMN2 4374/4885HTT 3346/4885

“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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