SCHEMBL1528052

SCHEMBL1528052

C=CCN1CCC[N]CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
LMNA P02545 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAD52 P43351 1/20 0.33
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL300105 0.91
SCHEMBL88222 0.78
SCHEMBL1489209 0.78
SCHEMBL4957978 0.78
SCHEMBL1938163 0.77
SCHEMBL1081392 0.76 HRH3 (0.39) MAPTDRD2DRD3ADRA2AADRA2B
SCHEMBL1079263 0.76 OPRD1 (0.38) MAPTDRD2DRD3ADRA2AADRA2B
Ammonia Solution, Strong SCHEMBL8854910 0.76
SCHEMBL486492 0.76
SCHEMBL87801 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US claimed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP claimed
US-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 US claimed
EP-1307463-B1 PYRROLO 2,1-B]-[1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2005-01-26 EP claimed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US claimed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP claimed
US-6710041-B2 Pyrrolo[2,1-B][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-03-23 US claimed
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 US claimed
US-20030186959-A1 Pyrrolo[2,1-b][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-10-02 US claimed
EP-1307463-A1 PYRROLO 2,1-B]-[1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2003-05-07 EP claimed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US claimed
EP-1252153-A1 SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-10-30 EP claimed
WO-2002010175-A1 PYRROLO[2,1-b][1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-02-07 WO claimed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US claimed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US claimed
WO-2001049676-A1 SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-12 WO claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
US-4866172-A Pristinamycin process MAY & BAKER LIMITED (GB) 1989-09-12 US claimed
US-4775753-A New process for the preparation of pristinamycin IIB derivatives RHONE-POULENC SANTE (FR) 1988-10-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS MAPT 201/4885DRD2 187/4885DRD3 160/4885
US-20030186959-A1 Pyrrolo[2,1-b][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity TPH1, GRIN2C, GRIN2B MAPT 346/4885DRD2 48/4885DRD3 92/4885
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof CALCA, CALCRL, P2RY1 MAPT 857/4885DRD2 171/4885DRD3 194/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPT 1892/4885DRD2 1877/4885DRD3 3293/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 MAPT 164/4885DRD2 198/4885DRD3 168/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS MAPT 197/4885DRD2 130/4885DRD3 106/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 MAPT 164/4885DRD2 198/4885DRD3 168/4885

“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.