SCHEMBL4464336

SCHEMBL4464336

COC(=O)c1ccc(-c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3ccc(Cl)nc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLP1R P43220 1/20 0.39
GCGR P47871 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP51A1 Q16850 1/20 0.38

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
SCHEMBL6541341 0.91 MAPT (0.42) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL6541337 0.91 MAPT (0.42) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL6541187 0.79 MAPT (0.49) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL6541179 0.79 MAPT (0.49) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL6272463 0.79 PTPN2 (0.40) ALDH1A1CYP2C9LMNASMN1; SMN2KCNH2
SCHEMBL6272461 0.79 PTPN2 (0.40) ALDH1A1CYP2C9LMNASMN1; SMN2KCNH2
SCHEMBL4467009 0.78 ADRB3 (0.52) KDM4ESMN1; SMN2ADRB1ADRB3
SCHEMBL6267536 0.77 KCNH2 (0.36) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL6267534 0.77 KCNH2 (0.36) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL6275314 0.77 L3MBTL1 (0.37) ALDH1A1LMNAKCNH2L3MBTL1CYP51A1

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 ALDH1A1 675/4885MAPT 3476/4885CYP1A2 1992/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ALDH1A1 1320/4885MAPT 4671/4885CYP1A2 3889/4885

“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.