SCHEMBL4463419

SCHEMBL4463419

COc1ccc(Sc2ccc(CCN)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.78
MAOB P27338 5/20 0.70
PTGIR P43119 3/20 0.53
AOC3 Q16853 2/20 0.49
GAA P10253 1/20 0.47
IDO1 P14902 2/20 0.47
CALM1 P0DP23 1/20 0.46

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
SCHEMBL4634 0.88 TAAR1 (1.00) TAAR1MAOBAOC3IDO1CALM1
Iodide SCHEMBL29184237 0.86 TAAR1 (0.95) TAAR1MAOBAOC3IDO1CALM1
SCHEMBL9468301 0.86 TAAR1 (0.95) TAAR1MAOBAOC3IDO1CALM1
Bromide SCHEMBL25228226 0.86 TAAR1 (0.95) TAAR1MAOBAOC3IDO1CALM1
Hydrochloric Acid SCHEMBL4473880 0.86 TAAR1 (0.95) TAAR1MAOBAOC3IDO1CALM1
SCHEMBL921423 0.85 MAOB (0.59) TAAR1MAOBPTGIRIDO1
SCHEMBL7692257 0.84 HTR2C (0.55) TAAR1MAOB
SCHEMBL6540989 0.84 MAOB (0.61) TAAR1MAOBPTGIR
SCHEMBL6541349 0.84 HTR2C (0.69) TAAR1MAOBPTGIR
SCHEMBL9468421 0.82 TAAR1 (0.88) TAAR1MAOBAOC3IDO1CALM1

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 11 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
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 US disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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 (4 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 TAAR1 201/4885MAOB 1679/4885PTGIR 714/4885
US-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 TAAR1 9/4885MAOB 2016/4885PTGIR 750/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 TAAR1 416/4885MAOB 1897/4885PTGIR 921/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 TAAR1 758/4885MAOB 3211/4885PTGIR 1416/4885

“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.