SCHEMBL13310656

SCHEMBL13310656

CC(C)(C)c1ccccc1C(=O)NC1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
HPGD P15428 4/20 0.60
LMNA P02545 4/20 0.60
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 2/20 0.60
HTT P42858 2/20 0.60
GAA P10253 3/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PKM P14618 1/20 0.56
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL13310657 0.97 RAB9A (0.59) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL2459907 0.85 CHEK1 (0.50) RAB9ANPC1
SCHEMBL6930440 0.83 LMNA (0.63) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL30666379 0.83 ALDH1A1 (0.77) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL16261249 0.80 NPC1 (0.67) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL24857976 0.79 TAS1R3 (0.54) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL24857978 0.79 P2RX7 (0.66) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL13162659 0.79 NPC1 (0.97) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL8198182 0.78 NPC1 (1.00) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL1819622 0.78 LMNA (0.62) RAB9ANPC1HPGDLMNAALDH1A1

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 8 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-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
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 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 (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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA RAB9A 1231/4885NPC1 2700/4885HPGD 3943/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH RAB9A 1377/4885NPC1 723/4885HPGD 561/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG RAB9A 1248/4885NPC1 2982/4885HPGD 4551/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA RAB9A 1231/4885NPC1 2700/4885HPGD 3943/4885

“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.