SCHEMBL4469796

SCHEMBL4469796

COC(=O)c1ccc(-c2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ATM Q13315 1/20 0.63
MGLL Q99685 1/20 0.59
OPRM1 P35372 4/20 0.59
OPRD1 P41143 4/20 0.59
OPRK1 P41145 3/20 0.59
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
HDAC1 Q13547 1/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
BCHE P06276 2/20 0.51
HTR5A P47898 1/20 0.51
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50

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
SCHEMBL4933368 0.96 MEN1 (0.68) MEN1KMT2AATMMGLLOPRM1
SCHEMBL6541617 0.87 CA1 (0.58) MEN1KMT2AATMMGLLOPRM1
Hydrochloric Acid SCHEMBL16507045 0.86 CYP4A11 (0.57) MEN1KMT2AATMMGLLOPRM1
SCHEMBL3746846 0.85 SMN1; SMN2 (0.73) MEN1KMT2AMGLLCA1CA2
Hydrochloric Acid SCHEMBL16506842 0.85 SIGMAR1 (0.62) MEN1KMT2AATMMGLLOPRM1
SCHEMBL4475682 0.85 MEN1 (0.55) MEN1KMT2AATMMGLLOPRM1
SCHEMBL15270421 0.84 CA1 (0.64) MEN1KMT2AATMMGLLOPRM1
Hydrochloric Acid SCHEMBL1169317 0.84 SMN1; SMN2 (0.71) MEN1KMT2AMGLLCA1CA2
SCHEMBL707697 0.83 MEN1 (0.59) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL1928912 0.82 TSHR (0.67) MGLLCA1CA2HDAC1ALDH1A1

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-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 MEN1 4134/4885KMT2A 1218/4885ATM 2529/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 MEN1 4292/4885KMT2A 364/4885ATM 3871/4885

“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.