SCHEMBL531012

SCHEMBL531012

Fc1ccc2c(N3CCCCC3)noc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
DRD2 P14416 8/20 0.48
HTR2A P28223 7/20 0.48
HTR7 P34969 2/20 0.48
HTR1A P08908 4/20 0.47
KCNH2 Q12809 2/20 0.45
MAPK13 O15264 1/20 0.43
SLC6A4 P31645 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 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
Hydrochloric Acid SCHEMBL14128737 0.98 ACHE (0.51) ACHEDRD2HTR2AHTR7HTR1A
SCHEMBL6218345 0.85 DRD2 (0.47) ACHEDRD2HTR2AHTR7HTR1A
Hydrochloric Acid SCHEMBL6248461 0.84 DRD2 (0.46) ACHEDRD2HTR2AHTR7HTR1A
SCHEMBL13448255 0.81 HTR2A (0.60) ACHEDRD2HTR2AHTR7HTR1A
SCHEMBL9035904 0.81 MAT2A (0.48) HTR2AHTR1AMAPK13CHRNA7HTR3A
SCHEMBL5905921 0.81 MAPK13 (0.43) ACHEMAPK13ALDH1A1HTT
Hydrochloric Acid SCHEMBL9037461 0.80 MAT2A (0.47) HTR2AHTR1AMAPK13CHRNA7HTR3A
SCHEMBL22302778 0.79 DRD2 (0.63) ACHEDRD2HTR2AHTR7HTR1A
SCHEMBL2540344 0.78 DRD2 (0.44) ACHEDRD2HTR2AHTR7HTR1A
SCHEMBL2540345 0.77 HTR2A (0.45) ACHEDRD2HTR2AHTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454256-B1 Process for the synthesis of paliperidone KRKA D D NOVO MESTO (SI) 2015-09-16 EP claimed
EP-2275423-B9 Process for the synthesis of paliperidone KRKA D D NOVO MESTO (SI) 2012-08-15 EP claimed
US-20120165527-A1 PROCESS FOR THE PREPARATION OF PURE PALIPERIDONE ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2012-06-28 US claimed
EP-2454256-A1 PROCESS FOR THE SYNTHESIS OF PALIPERIDONE KRKA, D.D., Novo Mesto (SI) 2012-05-23 EP claimed
WO-2012042368-A1 PROCESS FOR PREPARATION OF PALIPERIDONE AUROBINDO PHARMA LIMITED (IN) 2012-04-05 WO claimed
EP-2275423-B1 Process for the synthesis of paliperidone KRKA (SI) 2012-02-08 EP claimed
WO-2011073997-A2 PROCESS FOR PREPARING PALIPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-06-23 WO claimed
US-20110087024-A1 PROCESS FOR THE PREPARATION OF PALIPERIDONE INTERMEDIATES GLENMARK HOUSE (IN) 2011-04-14 US claimed
EP-2285804-A2 A PROCESS FOR THE PREPARATION OF PALIPERIDONE INTERMEDIATES Glenmark Generics Limited (IN) 2011-02-23 EP claimed
WO-2011006638-A1 PROCESS FOR THE SYNTHESIS OF PALIPERIDONE KRKA, D.D., NOVO MESTO (SI) 2011-01-20 WO claimed
WO-2009045489-A2 PROCESS FOR THE SYNTHESIS OF CMHTP, A PALIPERIDONE INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 WO claimed
WO-2008140646-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-11-20 WO claimed
US-20080214809-A1 Process for the synthesis of CMHTP and intermediates thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-09-04 US claimed
US-20080200676-A1 Process for the synthesis of CMHTP and intermediates thereof TEVA PHARMACEUTICALS USA, INC. 2008-08-21 US claimed
EP-1945640-A2 PROCESS FOR THE SYNTHESIS OF 9-HYDROXY RISPERIDONE (PALIPERIDONE) Teva Pharmaceutical Industries Ltd. (IL) 2008-07-23 EP claimed
US-20080171875-A1 Process for the synthesis of 9-hydroxy risperidone (paliperidone) TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-07-17 US claimed
EP-1924583-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF Teva Pharmaceutical Industries Ltd. (IL) 2008-05-28 EP claimed
WO-2008024415-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INSUSTRIES LTD. (IL) 2008-02-28 WO claimed
WO-2008021345-A2 PROCESS FOR THE SYNTHESIS OF 9-HYDROXY RISPERIDONE (PALIPERIDONE) TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-02-21 WO claimed
CN-1531432-A New use of iloperidone ��˹��ŵ�� 2004-09-22 CN 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 (5 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-20120165527-A1 PROCESS FOR THE PREPARATION OF PURE PALIPERIDONE FIP1L1, DHPS, CYP2D6 ACHE 4831/4885DRD2 500/4885HTR2A 282/4885
US-20080214809-A1 Process for the synthesis of CMHTP and intermediates thereof HAMP, TPMT, MPHOSPH6 ACHE 3785/4885DRD2 644/4885HTR2A 29/4885
US-20080200676-A1 Process for the synthesis of CMHTP and intermediates thereof HAMP, DHPS, MPHOSPH6 ACHE 4286/4885DRD2 930/4885HTR2A 27/4885
US-20080171875-A1 Process for the synthesis of 9-hydroxy risperidone (paliperidone) HTR3C, HTR1A, HTR6 ACHE 4222/4885DRD2 30/4885HTR2A 11/4885
US-20110087024-A1 PROCESS FOR THE PREPARATION OF PALIPERIDONE INTERMEDIATES DHPS, AVPR2, CYP2D6 ACHE 4808/4885DRD2 178/4885HTR2A 50/4885

“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.