SCHEMBL3065995

SCHEMBL3065995

COC(=O)N1CCC(C(=O)Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
BRD4 O60885 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
BRDT Q58F21 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RECQL P46063 1/20 0.38
CHRM1 P11229 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL20993453 0.85 EPHX1 (0.45) EPHX1GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL3498368 0.82 LMNA (0.55) EPHX1GAASMN1; SMN2BRD4NPC1
SCHEMBL5271075 0.82 SMN1; SMN2 (0.62) GAASMN1; SMN2POLBNPC1RAB9A
SCHEMBL12436920 0.82 GAA (0.46) EPHX1GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL5492178 0.81 GAA (0.69) GAASMN1; SMN2POLBCHRM1MAPT
SCHEMBL7773725 0.80 GAA (0.44) EPHX1GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL5188810 0.80 GAA (0.68) GAASMN1; SMN2HPGDCHRM1
SCHEMBL1712246 0.79 HPGD (0.64) EPHX1SMN1; SMN2HPGDRECQLMAPT
SCHEMBL10153992 0.78 SMN1; SMN2 (0.48) EPHX1GAASMN1; SMN2HPGDNPC1
SCHEMBL229158 0.77 CYP1A2 (0.44) EPHX1SMN1; SMN2CHRNB2CHRNA4CHRNA3

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
CN-103313988-B Imidazotriazinone compounds 论坛医药有限公司 2016-06-08 CN disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 EPHX1 4108/4885GAA 203/4885SMN1; SMN2 4/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 EPHX1 4108/4885GAA 203/4885SMN1; SMN2 4/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 EPHX1 4108/4885GAA 203/4885SMN1; SMN2 4/4885

“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.