SCHEMBL6541155

SCHEMBL6541155

COc1cccc(Sc2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.48
MTNR1B P49286 12/20 0.48
ESR1 P03372 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACACB O00763 3/20 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
SCHEMBL6676699 1.00 MTNR1A (0.48) MTNR1AMTNR1BESR1KCNH2SIRT2
SCHEMBL6677141 0.89 ACACB (0.52) ESR1KCNH2ACACB
SCHEMBL6677138 0.89 ACACB (0.52) ESR1KCNH2ACACB
SCHEMBL6676771 0.86 ADRB1 (0.43) ESR1KCNH2ACACB
SCHEMBL6676768 0.86 ADRB1 (0.43) ESR1KCNH2ACACB
SCHEMBL6682534 0.85 ESR1 (0.46) ESR1KCNH2ACACB
SCHEMBL6682539 0.85 ESR1 (0.46) ESR1KCNH2ACACB
SCHEMBL3293355 0.84 TAAR1 (0.52) MTNR1AMTNR1BESR1KCNH2MEN1
SCHEMBL1096460 0.84 TAAR1 (0.52) MTNR1AMTNR1BESR1KCNH2MEN1
SCHEMBL6804630 0.83 ACACB (0.48) MTNR1AMTNR1BESR1KCNH2MEN1

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 3 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

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 MTNR1A 245/4885MTNR1B 464/4885ESR1 2525/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 MTNR1A 1674/4885MTNR1B 1266/4885ESR1 3850/4885

“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.