SCHEMBL348690

SCHEMBL348690

O=C(O)C1(c2ccc(C(F)C3CCCC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.45
CYP3A4 P08684 5/20 0.42
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
LPAR1 Q92633 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
APP P05067 5/20 0.37
CYP2C19 P33261 5/20 0.37
CYP2C9 P11712 4/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37

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
SCHEMBL31046019 0.79 AKR1C1 (0.50) AKR1C1CYP3A4MEN1KMT2ATSHR
SCHEMBL13195386 0.73 AKR1C1 (0.52) AKR1C1CYP3A4MEN1KMT2ATSHR
SCHEMBL348524 0.72 CYP3A4 (0.64) AKR1C1CYP3A4MEN1KMT2ATSHR
SCHEMBL14441150 0.72 AKR1C1 (0.50) AKR1C1CYP3A4LPAR1MEN1KMT2A
SCHEMBL350126 0.71 OPRM1 (0.39) MEN1KMT2AOPRM1
SCHEMBL17816121 0.70 IDO1 (0.50) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL4503594 0.70 APP (0.45) AKR1C1CYP3A4LPAR1APPCYP2C19
SCHEMBL21826426 0.69 AKR1C1 (0.61) AKR1C1LTB4RLTB4R2MEN1KMT2A
SCHEMBL31045651 0.69 CYP3A4 (0.60) AKR1C1CYP3A4MEN1KMT2ATSHR
SCHEMBL301150 0.69 APP (0.61) AKR1C1CYP3A4MEN1KMT2AAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957229-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2018-05-01 US disclosed
US-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2017-11-23 US disclosed
US-9670154-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2017-06-06 US disclosed
EP-2963021-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Holdings Corporation (US) 2016-01-06 EP disclosed
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2015-11-19 US disclosed
US-9126927-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
EP-1756063-B1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-07-08 EP disclosed
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2012-01-19 US disclosed
US-8058288-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-11-15 US disclosed
US-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2010-10-07 US disclosed
US-7776874-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2010-08-17 US disclosed
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes INCYTE CORPORATION (US) 2008-10-16 US disclosed
US-7304081-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2007-12-04 US disclosed
US-20070179142-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-02 US disclosed
US-20050282858-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-22 US 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 (7 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-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 AKR1C1 38/4885CYP3A4 584/4885LTB4R 732/4885
US-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 AKR1C1 38/4885CYP3A4 584/4885LTB4R 732/4885
US-20050282858-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 AKR1C1 38/4885CYP3A4 584/4885LTB4R 732/4885
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 AKR1C1 38/4885CYP3A4 584/4885LTB4R 732/4885
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes HSD11B1, NR3C2, SRD5A1 AKR1C1 18/4885CYP3A4 415/4885LTB4R 913/4885
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 AKR1C1 38/4885CYP3A4 584/4885LTB4R 732/4885
US-20070179142-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 AKR1C1 38/4885CYP3A4 584/4885LTB4R 732/4885

“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.