SCHEMBL6540989

SCHEMBL6540989

COc1cccc(Sc2ccc(CCN)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.61
TAAR1 Q96RJ0 2/20 0.61
HTR2C P28335 1/20 0.55
HTR6 P50406 1/20 0.55
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PTGIR P43119 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ATM Q13315 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
SCHEMBL921273 0.89 MAOB (0.54) MAOBTAAR1HTR2CHTR6MTNR1A
SCHEMBL6541349 0.85 HTR2C (0.69) MAOBTAAR1HTR2CHTR6PTGIR
SCHEMBL4463419 0.84 TAAR1 (0.78) MAOBTAAR1PTGIR
SCHEMBL10709610 0.83 MTNR1A (0.57) HTR2CHTR6MTNR1AMTNR1BPTGIR
SCHEMBL9770219 0.80 HTR2C (0.55) HTR2CHTR6MTNR1AMTNR1BPTGIR
SCHEMBL3164341 0.80 ACHE (0.54) MTNR1AMTNR1BPTGIR
SCHEMBL31425668 0.80 ACHE (0.54) MTNR1AMTNR1BPTGIR
SCHEMBL13163776 0.78 EDNRA (0.54) MAOBMTNR1AMTNR1BPTGIR
SCHEMBL6540834 0.78 KDM4E (0.67) MAOBTAAR1HTR2CHTR6KDM4E
Hydrochloric Acid SCHEMBL18641306 0.78 MAOB (0.55) MAOBTAAR1HTR2CHTR6MTNR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 MAOB 1679/4885TAAR1 201/4885HTR2C 488/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 MAOB 3211/4885TAAR1 758/4885HTR2C 928/4885

“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.