SCHEMBL186656

SCHEMBL186656

CCc1ncc(C(=O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPT P10636 1/20 0.48
HCAR3 P49019 9/20 0.47
P4HA1 P13674 2/20 0.45
P4HTM Q9NXG6 2/20 0.45
HCAR2 Q8TDS4 2/20 0.44
MIF P14174 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL14095724 0.82 KMT2A (0.37) MAPTHCAR3
SCHEMBL4132044 0.80 MAPT (0.37) ALDH1A1MAPTHCAR3HCAR2RAB9A
SCHEMBL17101820 0.80 NNMT (0.45) KDM4ESMN1; SMN2
SCHEMBL27716846 0.79 HCAR3 (0.49) ALDH1A1HSD17B10KDM4EALOX15MAPT
SCHEMBL28261663 0.78 RARB (0.53) ALDH1A1HSD17B10KDM4EALOX15MAPT
SCHEMBL23829753 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EALOX15MAPT
SCHEMBL20236440 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EALOX15MAPT
SCHEMBL8725910 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EALOX15MAPT
SCHEMBL5079717 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EALOX15MAPT
SCHEMBL4129784 0.77 MAPK1 (0.52) ALDH1A1KDM4EMAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840543-B2 Compounds and uses THE UNIVERSITY OF QUEENSLAND (AU) 2023-12-12 US disclosed
US-11840543-B2 Compounds and uses THE UNIVERSITY OF QUEENSLAND (AU) 2023-12-12 US disclosed
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
EP-3174886-B1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-02-17 EP disclosed
US-20200207780-A1 NOVEL COMPOUNDS AND USES THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2020-07-02 US disclosed
US-10556889-B1 Salvinorin derivatives Blue Sky Pharmaceuticals, LLC (US) 2020-02-11 US disclosed
CN-106661043-B 2-oxa-5-azabicyclo [2.2.1] hept-3-yl derivatives 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
CN-106459073-B 5- oxa- -2- azabicyclics [2.2.2] octyl- 4- bases and 5- oxa- -2- azabicyclics [2.2.1] hept- 4- radical derivatives as TAAR1 conditioning agents 豪夫迈·罗氏有限公司 2018-11-13 CN disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 US disclosed
US-20110230403-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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 (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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A ALDH1A1 1291/4885HSD17B10 1051/4885KDM4E 4325/4885
US-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 ALDH1A1 181/4885HSD17B10 2724/4885KDM4E 481/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885HSD17B10 901/4885KDM4E 4797/4885
US-10556889-B1 Salvinorin derivatives OPRD1, OPRK1, OPRL1 ALDH1A1 866/4885HSD17B10 2147/4885KDM4E 4632/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885HSD17B10 901/4885KDM4E 4797/4885
US-11840543-B2 Compounds and uses NLRP3, NOD1, IAPP ALDH1A1 1468/4885HSD17B10 684/4885KDM4E 3046/4885
US-20110230403-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, HSD17B14 ALDH1A1 427/4885HSD17B10 103/4885KDM4E 3630/4885
US-20200207780-A1 NOVEL COMPOUNDS AND USES NLRP3, NOD1, GPR119 ALDH1A1 1987/4885HSD17B10 618/4885KDM4E 3504/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ALDH1A1 1000/4885HSD17B10 2126/4885KDM4E 4133/4885

“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.