SCHEMBL20601090

SCHEMBL20601090

CC(C)(C)OC(=O)N1CCC(C(NC(=O)c2ccc(Cl)s2)C2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
STS P08842 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
EZH2 Q15910 1/20 0.42
AEBP2 Q6ZN18 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
MMP13 P45452 2/20 0.42
MMP1 P03956 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
SCHEMBL20615699 1.00 ALDH1A1 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22022722 1.00 ALDH1A1 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20615702 0.89 SMN1; SMN2 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20601096 0.89 SMN1; SMN2 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20615740 0.89 SMN1; SMN2 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20615694 0.88 ALDH1A1 (0.43) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20615622 0.86 ALDH1A1 (0.44) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20600909 0.86 ALDH1A1 (0.44) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20615831 0.86 ALDH1A1 (0.44) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20601386 0.85 KDM4E (0.45) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-23 US disclosed
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-23 US disclosed
US-20200165201-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
US-20200165201-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
EP-3645520-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
CN-110709391-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-01-17 CN disclosed
WO-2019003141-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed
WO-2019003141-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 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 (2 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-20200165201-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 ALDH1A1 816/4885NPC1 984/4885MAPT 1969/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 ALDH1A1 816/4885NPC1 984/4885MAPT 1969/4885

“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.