SCHEMBL5357231

SCHEMBL5357231

C[C@H]1CNCc2cc3ccc(Cl)cc3n21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.55
HTR2A P28223 8/20 0.55
HTR2B P41595 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 2/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CNR1 P21554 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
SLC6A3 Q01959 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CMA1 P23946 1/20 0.31
AHR P35869 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
SCHEMBL906089 1.00 HTR2C (0.55) HTR2CHTR2AHTR2BSLC6A4SLC6A2
SCHEMBL906087 1.00 HTR2C (0.55) HTR2CHTR2AHTR2BSLC6A4SLC6A2
SCHEMBL4049671 0.84 HTR2C (0.38) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4049664 0.84 HTR2C (0.38) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4041144 0.82 HTR2A (0.36) HTR2CHTR2AHTR2BSLC6A4ADRA2A
SCHEMBL4041138 0.82 HTR2A (0.36) HTR2CHTR2AHTR2BSLC6A4ADRA2A
Hydrochloric Acid SCHEMBL4043022 0.82 HTR2C (0.37) HTR2CHTR2AHTR2BCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL4043013 0.82 HTR2C (0.37) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4044712 0.82 SLC6A2 (0.35) HTR2CHTR2AHTR2BSLC6A4SLC6A2
SCHEMBL4044709 0.82 SLC6A2 (0.35) HTR2CHTR2AHTR2BSLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253281-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 US disclosed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 US disclosed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 EP disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 US disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (4 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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR HTR2C 77/4885HTR2A 68/4885HTR2B 93/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 HTR2C 65/4885HTR2A 78/4885HTR2B 203/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR HTR2C 77/4885HTR2A 68/4885HTR2B 93/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A HTR2C 34/4885HTR2A 16/4885HTR2B 61/4885

“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.