Sugi Predict

Sugi Predict / Compounds / SCHEMBL4078995

SCHEMBL4078995

SCHEMBL4078995

COC(=O)c1cnn(C)c(=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ PTGS1 P23219 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ XDH P47989 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40

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
SCHEMBL2894545 0.81 CYP2C9 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2CA12
SCHEMBL17582560 0.81 PTGS1 (0.46) PTGS1SMN1; SMN2TP53L3MBTL1CYP11B1
SCHEMBL186256 0.79 PTGS1 (0.49) PTGS1ALDH1A1KDM4EHPGDPOLB
SCHEMBL22579477 0.78 KDM4E (0.45) ATMALDH1A1KDM4ECA12CA1
SCHEMBL2897778 0.77 KDM4E (0.45) PTGS1ALDH1A1KDM4ECA1CA2
SCHEMBL22579486 0.77 ATM (0.42) ATMALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL24702015 0.75 PTGS1 (0.42) PTGS1L3MBTL1
SCHEMBL22712436 0.74 SMN1; SMN2 (0.47) ATMALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL1493312 0.72 SMN1; SMN2 (0.45) ATMALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1144917 0.70 PDE1C (0.57) ALDH1A1KDM4EHPGDCA12CA1

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
CN-111825654-A Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof 北京酷瓴生物技术有限公司 2020-10-27 — — CN disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 — — WO disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 — — WO disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — US disclosed
WO-2009054793-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — WO disclosed
WO-2009054793-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — 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 (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-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 ATM 3684/4885PTGS1 586/4885ALDH1A1 4142/4885

“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.