SCHEMBL14475657

SCHEMBL14475657

CC(C)c1ccc2c(c1)C(C)C(C)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
HPGD P15428 3/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
AR P10275 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALOX12 P18054 1/20 0.32

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
SCHEMBL14016592 0.79 LMNA (0.38) KIF11HPGDGAASMN1; SMN2LMNA
SCHEMBL13174799 0.75 HTR2C (0.40) KIF11HPGDGAASMN1; SMN2ALDH1A1
SCHEMBL22019330 0.75 HTR2C (0.40) KIF11HPGDGAASMN1; SMN2ALDH1A1
SCHEMBL26813859 0.73 HTR2C (0.41) GAAKDM4EMAPTARNR3C1
SCHEMBL15108164 0.73 HTR2C (0.41) GAAKDM4EMAPTARNR3C1
SCHEMBL7038904 0.73 CHRNB2 (0.35) ALDH1A1ARNR3C1PGRNR3C2
SCHEMBL26813673 0.73 HTR2C (0.41) GAAKDM4EMAPTARNR3C1
SCHEMBL21317798 0.73 HTR2A (0.39) LMNAALDH1A1KDM4EMAPTAR
SCHEMBL26813843 0.73 HTR2C (0.41) GAAKDM4EMAPTARNR3C1
SCHEMBL25852303 0.72 CA2 (0.35) KIF11ALDH1A1KDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 US disclosed
US-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 US disclosed
US-20180192651-A1 THERMAL VOLATILIZATION OF ORCO AGONISTS VANDERBILT UNIVERSITY 2018-07-12 US disclosed
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING VANDERBILT UNIVERSITY 2018-04-05 US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
WO-2017011466-A1 THERMAL VOLATILIZATION OF ORCO AGONISTS ZWIEBEL LAURENCE J (US) 2017-01-19 WO disclosed
WO-2016154471-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING VANDERBILT UNIVERSITY (US) 2016-09-29 WO disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 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 (10 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-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing OR51E2, OR10J3, ORC3 KIF11 3102/4885HPGD 4619/4885GAA 4564/4885
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KIF11 1865/4885HPGD 1755/4885GAA 1676/4885
US-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KIF11 3550/4885HPGD 4384/4885GAA 4325/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 KIF11 3665/4885HPGD 4292/4885GAA 4349/4885
US-20180192651-A1 THERMAL VOLATILIZATION OF ORCO AGONISTS OR51E2, OR10J3, TRPA1 KIF11 3194/4885HPGD 3447/4885GAA 4303/4885
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING OR51E2, OR10J3, ORC3 KIF11 3096/4885HPGD 4650/4885GAA 4521/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 KIF11 3576/4885HPGD 4366/4885GAA 4268/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KIF11 3550/4885HPGD 4384/4885GAA 4325/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KIF11 3669/4885HPGD 4263/4885GAA 4308/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KIF11 3665/4885HPGD 4292/4885GAA 4349/4885

“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.