SCHEMBL15070484

SCHEMBL15070484

CC1CCN(C(=O)c2cscn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ACHE P22303 1/20 0.47
TRPC3 Q13507 4/20 0.47
TRPC6 Q9Y210 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2517603 0.86 RIPK1 (0.51) RIPK1ALDH1A1PKML3MBTL1POLB
SCHEMBL28471941 0.82 RIPK1 (0.48) RIPK1ALDH1A1PKML3MBTL1POLB
SCHEMBL3329035 0.82 KDM4E (0.50) RIPK1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13974870 0.81 NAMPT (0.50) RIPK1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2722252 0.79 POLB (0.48) RIPK1ALDH1A1PKMPOLBKMT2A
SCHEMBL471101 0.78 HPGD (0.33) RIPK1APOBEC3AAPOBEC3GACHETRPC3
SCHEMBL2310817 0.78 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL13532859 0.78 KDM4E (0.46) RIPK1HPGDALDH1A1PKML3MBTL1
SCHEMBL25416911 0.77 PKM (0.45) RIPK1ALDH1A1TP53PKMPOLB
SCHEMBL3337133 0.76 KDM4E (0.47) RIPK1ALDH1A1PKMPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107827841-A Trifluoromethyl alcohol as Ror γ t conditioning agents 詹森药业有限公司 2018-03-23 CN disclosed
CN-107108599-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2017-08-29 CN disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR RIPK1 4641/4885APOBEC3A 2650/4885APOBEC3G 2109/4885

“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.