SCHEMBL350023

SCHEMBL350023

O=C1CCCN1c1ccc(C2(C(=O)O)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HPGD P15428 7/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
AKR1C1 Q04828 1/20 0.45
AKR1C3 P42330 1/20 0.44
IP6K1 Q92551 1/20 0.44
IP6K3 Q96PC2 1/20 0.44
IP6K2 Q9UHH9 1/20 0.44

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
SCHEMBL3097408 0.82 ALDH1A1 (0.63) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL349365 0.80 ALDH1A1 (0.49) ALDH1A1HPGDNPC1RAB9ARXFP1
SCHEMBL379014 0.79 ALDH1A1 (0.58) ALDH1A1HPGDCYP3A4SMN1; SMN2TSHR
SCHEMBL11142367 0.78 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL70639 0.77 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL351197 0.77 HSD11B1 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL349449 0.76 AKR1C1 (0.52) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL350826 0.75 KDM1A (0.41) AKR1C1
SCHEMBL322211 0.74 ALDH1A1 (0.93) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL2972362 0.73 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9

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 17 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
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP 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
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
US-20050282858-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-22 US disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 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 (6 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 ALDH1A1 311/4885HPGD 51/4885CYP1A2 174/4885
US-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 ALDH1A1 311/4885HPGD 51/4885CYP1A2 174/4885
US-20050282858-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 ALDH1A1 311/4885HPGD 51/4885CYP1A2 174/4885
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 ALDH1A1 311/4885HPGD 51/4885CYP1A2 174/4885
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 ALDH1A1 51/4885HPGD 59/4885CYP1A2 138/4885
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 ALDH1A1 311/4885HPGD 51/4885CYP1A2 174/4885

“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.