SCHEMBL14726015

SCHEMBL14726015

CC(=O)N1CCN(C(C)C)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
NOTUM Q6P988 11/20 0.53
BRD4 O60885 3/20 0.53
POLB P06746 1/20 0.47
HSD17B3 P37058 1/20 0.44
AMPD2 Q01433 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.43

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
SCHEMBL16940692 0.82 KMT2A (0.44) CYP2D6CYP2C9NOTUMBRD4POLB
SCHEMBL1106902 0.81 CYP2D6 (0.39) CYP2D6CYP2C9POLBGPBAR1
SCHEMBL30379462 0.79 TSHR (0.44) CYP2D6CYP2C9NOTUMBRD4POLB
SCHEMBL30379815 0.79 GAA (0.49)
SCHEMBL26088235 0.79 GAA (0.49)
SCHEMBL24597094 0.79 KDM1A (0.52) CYP2D6CYP2C9GPBAR1
SCHEMBL26092624 0.77 GAA (0.48)
SCHEMBL30910084 0.77 GAA (0.48)
SCHEMBL9607910 0.77 NOTUM (0.58) CYP2D6CYP2C9NOTUMBRD4POLB
SCHEMBL30910069 0.76 ALDH1A1 (0.52) POLB

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-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 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 (3 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP2D6 4717/4885CYP2C9 4870/4885NOTUM 2328/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP2D6 4649/4885CYP2C9 4863/4885NOTUM 2585/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP2D6 4717/4885CYP2C9 4870/4885NOTUM 2328/4885

“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.