Sugi Predict

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SCHEMBL389963

SCHEMBL389963

Cc1nc(N2CCN(C(=O)OCC(C)(C)C)CC2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR1A P08908 2/20 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
SCHEMBL390041 0.83 CKS1B (0.51) SMN1; SMN2MAPTLMNATSHRKMT2A
SCHEMBL387707 0.78 HTR3E (0.50) SMN1; SMN2HPGDMAPTLMNANPSR1
SCHEMBL389965 0.75 ALDH1A1 (0.64) SMN1; SMN2HPGDMAPTLMNANPSR1
SCHEMBL386627 0.75 SMN1; SMN2 (0.60) SMN1; SMN2HPGDLMNANPSR1TSHR
SCHEMBL391090 0.74 HTR3E (0.51) SMN1; SMN2HPGDMAPTLMNANPSR1
SCHEMBL390651 0.74 NOS1 (0.49) SMN1; SMN2HPGDLMNANPSR1TSHR
SCHEMBL391351 0.74 HRH3 (0.54) SMN1; SMN2HPGDMAPTNPSR1TSHR
SCHEMBL390463 0.73 GPR119 (0.57) SMN1; SMN2HPGDLMNANPSR1TSHR
SCHEMBL386614 0.73 HRH3 (0.51) SMN1; SMN2HPGDMAPTLMNANPSR1
SCHEMBL387764 0.72 GPR119 (0.58) SMN1; SMN2HPGDMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 — — EP claimed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 — — US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 — — US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 — — US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 — — EP disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 — — EP 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C SMN1; SMN2 960/4885HPGD 2246/4885MAPT 3502/4885

“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.