SCHEMBL4475682

SCHEMBL4475682

COC(=O)c1cc(C)c(-c2ccc(CCNCc3ccccc3)cc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ATM Q13315 1/20 0.55
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HDAC1 Q13547 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MGLL Q99685 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCHE P06276 2/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL4469796 0.85 MEN1 (0.63) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL4933368 0.83 MEN1 (0.68) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL21089603 0.78 HIF1A (0.61) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL11846611 0.78 CYP4F2 (0.64) MEN1KMT2AATMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11854001 0.77 CYP4F2 (0.62) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL707697 0.77 MEN1 (0.59) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL6541617 0.76 CA1 (0.58) MEN1KMT2AATMOPRM1OPRD1
Hydrochloric Acid SCHEMBL707696 0.76 MEN1 (0.57) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL4074968 0.75 OPRM1 (0.60) MEN1KMT2AATMOPRM1OPRD1
Hydrochloric Acid SCHEMBL16507045 0.75 CYP4A11 (0.57) MEN1KMT2AATMOPRM1OPRD1

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-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
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.