Sugi Predict

Sugi Predict / Compounds / SCHEMBL2910280

SCHEMBL2910280

SCHEMBL2910280

CN1CCN[C@H](c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.45
▸ GSK3B P49841 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ SLC6A2 P23975 4/20 0.40
▸ SLC6A3 Q01959 4/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLC6A4 P31645 3/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ PRCP P42785 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL90572 1.00 PDE10A (0.45) PDE10AGSK3BKDM4EALDH1A1RPS6KB1
SCHEMBL2908444 1.00 PDE10A (0.45) PDE10AGSK3BKDM4EALDH1A1RPS6KB1
Hydrochloric Acid SCHEMBL10626673 0.98 GSK3B (0.45) PDE10AGSK3BKDM4EALDH1A1RPS6KB1
Hydrochloric Acid SCHEMBL27510131 0.98 GSK3B (0.45) PDE10AGSK3BKDM4EALDH1A1RPS6KB1
Oxalic Acid SCHEMBL4354000 0.92 RPS6KB1 (0.45) PDE10AGSK3BRPS6KB1SLC6A2SLC6A3
Oxalic Acid SCHEMBL4354003 0.92 RPS6KB1 (0.45) PDE10AGSK3BRPS6KB1SLC6A2SLC6A3
SCHEMBL7409899 0.89 PDE10A (0.41) PDE10AGSK3BSLC6A2SLC6A3ADRA1A
Diethylamine SCHEMBL28752379 0.88 GSK3B (0.40) PDE10AGSK3BRPS6KB1SLC6A2SLC6A3
SCHEMBL27765904 0.84 SLC6A2 (0.46) PDE10AGSK3BRPS6KB1SLC6A2SLC6A3
SCHEMBL2913625 0.84 SLC6A2 (0.40) PDE10AGSK3BKDM4EALDH1A1RPS6KB1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472901-B Stereoselective synthesis of -1-methyl-3-phenylpiperazine ORGANON NV 2011-08-03 — — CN claimed
EP-2038260-B1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE ORGANON NV (NL) 2010-09-01 — — EP claimed
US-20100036126-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. ORGANON (NL) 2010-02-11 — — US claimed
CN-101472901-A Stereoselective synthesis of -1-methyl-3-phenylpiperazine ORGANON NV (NL) 2009-07-01 — — CN claimed
EP-2038260-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. Organon (NL) 2009-03-25 — — EP claimed
WO-2007144409-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. ORGANON (NL) 2007-12-21 — — WO claimed
WO-2018121400-A1 AMIDE AND THIOAMIDE DERIVATIVES AND PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳药科大学 2018-07-05 — — WO disclosed
EP-2146993-B1 A METHOD FOR THE PREPARATION OF MIRTAZAPINE MERCK SHARP & DOHME (NL) 2015-08-05 — — EP disclosed
CN-102153620-A Process for producing optically active piperazine compound SUMITOMO CHEMICAL CO 2011-08-17 — — CN disclosed
CN-101472901-B Stereoselective synthesis of -1-methyl-3-phenylpiperazine ORGANON NV 2011-08-03 — — CN disclosed
CN-102126982-A Process for producing optically active piperazine compound SUMITOMO CHEMICAL CO 2011-07-20 — — CN disclosed
CN-102126978-A Process for producing optically active piperazine compound SUMITOMO CHEMICAL CO 2011-07-20 — — CN disclosed
EP-2038260-B1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE ORGANON NV (NL) 2010-09-01 — — EP disclosed
CN-101312955-A Process for producing optically active piperazine compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 — — CN disclosed
WO-2008125578-A2 A METHOD FOR THE PREPARATION OF MIRTAZAPINE N.V. ORGANON (NL) 2008-10-23 — — WO disclosed
US-20080255348-A1 METHOD FOR THE PREPARATION OF AN ENANTIOMER OF A TETRACYCLIC BENZAZEPINE N.V. ORGANON 2008-10-16 — — US disclosed
US-20080226592-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 — — US disclosed
EP-1930325-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PIPERAZINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-06-11 — — EP disclosed
WO-2007144409-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. ORGANON (NL) 2007-12-21 — — WO disclosed
WO-2007144409-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. ORGANON (NL) 2007-12-21 — — 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 (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-20100036126-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE THOP1, PRSS1, DPEP1 PDE10A 3892/4885GSK3B 3292/4885KDM4E 1264/4885
US-20080226592-A1 Compounds for the Treatment of Hepatitis C SLC10A1, HAVCR2, OAT PDE10A 2707/4885GSK3B 1276/4885KDM4E 4099/4885
US-20080255348-A1 METHOD FOR THE PREPARATION OF AN ENANTIOMER OF A TETRACYCLIC BENZAZEPINE CYP3A5, HMGCR, CYP11A1 PDE10A 3530/4885GSK3B 682/4885KDM4E 457/4885

“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.