Sugi Predict

Sugi Predict / Compounds / SCHEMBL2969965

SCHEMBL2969965

SCHEMBL2969965

CN(C)c1ccccc1-c1cccc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.37
▸ HTR1D P28221 2/20 0.35
▸ HTR1B P28222 2/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3857913 0.88 PTGS2 (0.43) PTGS2HTR1AHTR7CAMKK2HTR1D
SCHEMBL788140 0.86 CAMKK2 (0.35) PTGS2HTR1AHTR7CAMKK2HTR1D
SCHEMBL28855915 0.85 HTR1A (0.42) PTGS2HTR1AHTR7HTR1DHTR1B
SCHEMBL29732972 0.84 PTGS2 (0.40) PTGS2HTR1AHTR7CAMKK2HTR1D
SCHEMBL641745 0.81 PTPN5 (0.37) PTGS2CAMKK2HTR6NSD2ALDH1A1
SCHEMBL5220798 0.80 HTR1D (0.42) PTGS2HTR1AHTR7HTR1DHTR1B
SCHEMBL29613262 0.80 PTGS2 (0.43) PTGS2BCHEACHECHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28515535 0.79 HTR1D (0.41) PTGS2HTR1AHTR7HTR1DHTR1B
Hydrochloric Acid SCHEMBL28502715 0.79 HTR1D (0.41) PTGS2HTR1AHTR7HTR1DHTR1B
Hydrochloric Acid SCHEMBL28520193 0.77 HTR1D (0.42) PTGS2HTR1AHTR7HTR1DHTR1B

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 — — US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 — — US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 — — US disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 — — EP disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 — — EP disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 — — US disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 — — US disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 — — US disclosed
EP-2565185-A1 [5,6]HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-06 — — EP disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 — — US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 — — US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 — — EP disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 — — US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 — — US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 — — US disclosed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 — — EP disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 — — US disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 — — 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 (8 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 PTGS2 4090/4885HTR1A 625/4885HTR7 723/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 PTGS2 4103/4885HTR1A 606/4885HTR7 718/4885
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 PTGS2 152/4885HTR1A 1414/4885HTR7 2266/4885
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND BMP2, BMP4, SOST PTGS2 561/4885HTR1A 2150/4885HTR7 1807/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 PTGS2 3728/4885HTR1A 538/4885HTR7 481/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PTGS2 3655/4885HTR1A 390/4885HTR7 71/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 PTGS2 152/4885HTR1A 1414/4885HTR7 2266/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 PTGS2 3035/4885HTR1A 424/4885HTR7 126/4885

“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.