SCHEMBL21756986

SCHEMBL21756986

CC1CCC2(CC1)CCN(C(=O)I)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRL1 P41146 3/20 0.36
HRH3 Q9Y5N1 4/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 1/20 0.34
HSD11B1 P28845 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAMPT P43490 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL21757030 0.84 OPRM1 (0.43) GRM5OPRM1OPRL1USP2ALDH1A1
SCHEMBL21757045 0.76 EPHX2 (0.45) GRM5OPRM1OPRL1HRH3CYP2C9
SCHEMBL27253737 0.76 USP2 (0.49) USP2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL21757037 0.74 JAK2 (0.45) OPRM1OPRL1USP2ALDH1A1NPC1
SCHEMBL21757048 0.74 JAK1 (0.45) OPRM1OPRL1ALDH1A1NPC1MEN1
SCHEMBL23240355 0.73 SMN1; SMN2 (0.45) USP2ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL16979668 0.72 ALDH1A1 (0.54) GRM5ALDH1A1NPC1MEN1KMT2A
SCHEMBL15987021 0.72 ALDH1A1 (0.33) GRM5HRH3ALDH1A1NPC1MEN1
SCHEMBL27255736 0.71
SCHEMBL25810086 0.70 GRM5 (0.46) GRM5ALDH1A1HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4105214-A1 USE OF JAK INHIBITORS IN PREPARATION OF DRUGS FOR TREATING JAK KINASE-RELATED DISEASES Zhuhai United Laboratories Co., Ltd (CN) 2022-12-21 EP disclosed
WO-2021159372-A1 USE OF JAK INHIBITORS IN PREPARATION OF DRUGS FOR TREATING JAK KINASE-RELATED DISEASES 珠海联邦制药股份有限公司 2021-08-19 WO disclosed
US-20210155621-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND USE THEREOF ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2021-05-27 US disclosed
WO-2020038457-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND APPLICATION THEREOF 珠海联邦制药股份有限公司 2020-02-27 WO disclosed
US-9403829-B2 Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino [2,3-b]pyrazin-2(1H)-one, a solid form thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-02 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 (1 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-20210155621-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND USE THEREOF JAK1, JAK2, TYK2 GRM5 1206/4885OPRM1 3191/4885OPRL1 3397/4885

“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.