SCHEMBL856166

SCHEMBL856166

O=C(NC1CCC(CO)CC1)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
GAA P10253 1/20 0.72
TSHR P16473 1/20 0.69
EPHX1 P07099 1/20 0.61
DPP4 P27487 6/20 0.56
DPP7 Q9UHL4 6/20 0.56
KCNH2 Q12809 3/20 0.56
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSK P43235 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TLR4 O00206 1/20 0.51
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 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
SCHEMBL2681634 1.00 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL856165 1.00 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.91 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.91 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.91 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.90 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL17872903 0.87 ALDH1A1 (0.71) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL529330 0.87 TSHR (0.71) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL15328920 0.87 ALDH1A1 (0.71) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3816681 0.87 TSHR (0.71) ALDH1A1GAATSHREPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968201-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2021-04-06 US disclosed
US-20210024491-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2021-01-28 US disclosed
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2019-10-17 US disclosed
US-10385052-B2 Tricyclic compound and JAK inhibitor NISSAN CHEMICAL CORPORATION (JP) 2019-08-20 US disclosed
US-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-04-12 US disclosed
US-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-04-12 US disclosed
WO-2015174376-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR 日産化学工業株式会社 2015-11-19 WO disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 EP 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 (9 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 ALDH1A1 1293/4885GAA 4332/4885TSHR 767/4885
US-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR JAK1, JAK3, JAK2 ALDH1A1 2772/4885GAA 3463/4885TSHR 1371/4885
US-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 ALDH1A1 1392/4885GAA 4537/4885TSHR 936/4885
US-10385052-B2 Tricyclic compound and JAK inhibitor JAK1, JAK3, JAK2 ALDH1A1 2746/4885GAA 3582/4885TSHR 1433/4885
US-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 ALDH1A1 2702/4885GAA 4395/4885TSHR 2779/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 ALDH1A1 2658/4885GAA 4346/4885TSHR 2647/4885
US-20210024491-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 ALDH1A1 1392/4885GAA 4537/4885TSHR 936/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 ALDH1A1 2491/4885GAA 4028/4885TSHR 2651/4885
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 ALDH1A1 1392/4885GAA 4537/4885TSHR 936/4885

“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.