SCHEMBL230341

SCHEMBL230341

CC1CNCCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
HTR2A P28223 3/20 0.46
KCNH2 Q12809 1/20 0.46
SGPL1 O95470 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
CXCR3 P49682 3/20 0.41

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
SCHEMBL1028259 1.00 HTR2C (0.46) HTR2CHTR2AKCNH2SGPL1HDAC8
SCHEMBL5317366 1.00 HTR2C (0.46) HTR2CHTR2AKCNH2SGPL1HDAC8
Hydrochloric Acid SCHEMBL28966672 0.99 HTR2C (0.45) HTR2CHTR2AKCNH2SGPL1HDAC8
Hydrochloric Acid SCHEMBL28966675 0.99 HTR2C (0.45) HTR2CHTR2AKCNH2SGPL1HDAC8
Tert-Butyl Formate SCHEMBL27747676 0.89 HTR2C (0.46) HTR2CHTR2AKCNH2SGPL1HDAC8
SCHEMBL17128127 0.85 HTR2C (0.39) HTR2CHTR2AKCNH2HDAC8HDAC6
SCHEMBL17519369 0.83 NR1H2 (0.49) HTR2CHTR2AHDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL28982903 0.83 KDM4E (0.41) HTR2CHTR2AHDAC8HDAC6HDAC1
SCHEMBL21336969 0.82 HTR2C (0.39) HTR2CHTR2AKCNH2HDAC8HDAC6
SCHEMBL23744328 0.82 ROCK2 (0.43) HTR2CHTR2AKCNH2CXCR3HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805158-B1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS INC (US) 2018-06-27 EP disclosed
EP-1805158-B1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS INC (US) 2018-06-27 EP disclosed
US-9133145-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2015-09-15 US disclosed
EP-1751108-B1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC (US) 2014-07-30 EP disclosed
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. (US) 2013-12-19 US disclosed
US-8415354-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2013-04-09 US disclosed
US-8372841-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2013-02-12 US disclosed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-20120004206-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. 2012-01-05 US disclosed
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2009-07-30 US disclosed
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN disclosed
US-7517884-B2 {5-[4-(4-Trifluoromethyl-phenyl)-piperazine-1-sulfonyl]-indan-2-yl}-acetic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury, diabetes KALYPSYS INC. (US) 2009-04-14 US disclosed
US-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
EP-1751108-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-09-14 US disclosed
US-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-07-27 US disclosed
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC. 2005-12-15 US disclosed
WO-2005108368-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2005-11-17 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-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD HTR2C 1022/4885HTR2A 946/4885KCNH2 3175/4885
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 HTR2C 1730/4885HTR2A 1671/4885KCNH2 4373/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD HTR2C 1022/4885HTR2A 946/4885KCNH2 3175/4885
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 HTR2C 4624/4885HTR2A 4390/4885KCNH2 1539/4885
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 HTR2C 1730/4885HTR2A 1671/4885KCNH2 4373/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 HTR2C 2445/4885HTR2A 2590/4885KCNH2 4382/4885
US-20120004206-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 HTR2C 2445/4885HTR2A 2590/4885KCNH2 4382/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD HTR2C 1022/4885HTR2A 946/4885KCNH2 3175/4885

“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.