SCHEMBL10133748

SCHEMBL10133748

CC1CN(c2cc(F)ccc2NC(=O)CCCCNS(=O)(=O)C(C)C)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.46
HDAC1 Q13547 6/20 0.46
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOR2 Q9Y618 1/20 0.38
NPY5R Q15761 2/20 0.37
HTR1A P08908 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL10115290 1.00 HDAC3 (0.46) HDAC3HDAC1ALDH1A1HPGDKMT2A
SCHEMBL10115300 0.88 KMT2A (0.38) HDAC3HDAC1ALDH1A1HPGDKMT2A
SCHEMBL10115040 0.87 HDAC3 (0.46) HDAC3HDAC1ALDH1A1HPGDKMT2A
SCHEMBL10133498 0.87 HDAC3 (0.46) HDAC3HDAC1ALDH1A1HPGDKMT2A
SCHEMBL10133420 0.86 KMT2A (0.39) HDAC3HDAC1ALDH1A1KMT2AMEN1
SCHEMBL10115320 0.86 KMT2A (0.39) HDAC3HDAC1ALDH1A1KMT2AMEN1
SCHEMBL17090541 0.86 NPY5R (0.42) ALDH1A1NPY5RHTR1AWDR5
SCHEMBL13564951 0.86 NPY5R (0.42) ALDH1A1NPY5RHTR1AWDR5
SCHEMBL10115213 0.85 HTR1A (0.40) HDAC3HDAC1ALDH1A1KMT2AMEN1
SCHEMBL10133750 0.85 HTR1A (0.40) HDAC3HDAC1ALDH1A1KMT2AMEN1

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 489/4885HDAC1 1703/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 669/4885HDAC1 2021/4885ALDH1A1 4517/4885

“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.