SCHEMBL795384

SCHEMBL795384

Cc1nc2c(OCc3ccccc3)cccn2c(=O)c1CCCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.62
ATP4B P51164 3/20 0.62
HTR1A P08908 1/20 0.58
DRD2 P14416 1/20 0.58
HTR2A P28223 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PSEN1 P49768 7/20 0.50
PSEN2 P49810 7/20 0.50
APH1B Q8WW43 7/20 0.50
NCSTN Q92542 7/20 0.50
APH1A Q96BI3 7/20 0.50

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
SCHEMBL15095108 0.91 ATP4A (0.62) ATP4AATP4BHTR1ADRD2HTR2A
SCHEMBL903268 0.90 ATP4A (0.65) ATP4AATP4BHTR1ADRD2HTR2A
SCHEMBL11914458 0.90 ATP4A (0.61) ATP4AATP4BHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL3702932 0.89 ATP4A (0.64) ATP4AATP4BHTR1ADRD2HTR2A
SCHEMBL8322317 0.83 ADRA2A (0.44) ATP4AATP4BHTR1ADRD2HTR2A
SCHEMBL7964742 0.83 CYP1A2 (0.44) ATP4AATP4BHTR1ADRD2HTR2A
SCHEMBL8321782 0.81 CYP1A2 (0.42) ATP4AATP4BHTR1ADRD2HTR2A
SCHEMBL11066583 0.80 ATP4A (0.77) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL13925634 0.80 ATP4A (0.62) ATP4AATP4BHTR1ADRD2HTR2A
SCHEMBL2193469 0.79 ATP4A (0.76) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110293889-A1 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN LABORATORIES LIMITED (IN) 2011-12-01 US claimed
EP-2300467-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN Laboratories Limited (IN) 2011-03-30 EP claimed
US-20100311969-A1 Process For Preparation of Paliperidone Watson Pharma Private Limited (IN) 2010-12-09 US claimed
US-20100298566-A1 PROCESS FOR THE PREPARATION OF PALIPERIDONE AND ITS INTERMEDIATES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-11-25 US claimed
EP-2249649-A2 AN IMPROVED PROCESS FOR PREPARATION OF PALIPERIDONE Watson Pharma Private Limited (IN) 2010-11-17 EP claimed
WO-2010004578-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN LABORATORIES LIMITED (IN) 2010-01-14 WO claimed
WO-2009116071-A2 AN IMPROVED PROCESS FOR PREPARATION OF PALIPERIDONE Watson Pharma Private Limited (IN) 2009-09-24 WO claimed
WO-2009060297-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF PALIPERIDONE AND ITS INTERMEDIATES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2009-05-14 WO claimed
EP-2046790-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF Teva Pharmaceutical Industries Ltd. (IL) 2009-04-15 EP 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-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
US-11667666-B2 Methods and compositions for treatment of cancer CFD RESEARCH CORPORATION (US) 2023-06-06 US disclosed
CN-106132956-B Heterocyclic compound, preparation method and application thereof 中国科学院上海药物研究所 2019-12-10 CN disclosed
EP-0368388-B1 3-Piperidinyl-1,2-benzisoxazoles JANSSEN PHARMACEUTICA NV (BE) 1995-05-10 EP disclosed
US-5254556-A Antipsychotic; paliperidone palmitate JANSSEN PHARMACEUTICA N.V. (BE) 1993-10-19 US disclosed
US-5158952-A 3-[2-[4-(6-fluoro-1,2-benzisoxozol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9 tetrahydro-9-hydroxy-2-methyl-4H-pyrido [1,2-a]pyrimidin-4-one, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-10-27 US 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 (6 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-20080214809-A1 Process for the synthesis of CMHTP and intermediates thereof HAMP, TPMT, MPHOSPH6 ATP4A 2239/4885ATP4B 1984/4885HTR1A 13/4885
US-20080200676-A1 Process for the synthesis of CMHTP and intermediates thereof HAMP, DHPS, MPHOSPH6 ATP4A 3023/4885ATP4B 2716/4885HTR1A 13/4885
US-11667666-B2 Methods and compositions for treatment of cancer TEK, VHL, TIE1 ATP4A 3949/4885ATP4B 3928/4885HTR1A 3214/4885
US-20100298566-A1 PROCESS FOR THE PREPARATION OF PALIPERIDONE AND ITS INTERMEDIATES AVPR2, AVPR1A, AVPR1B ATP4A 3381/4885ATP4B 3612/4885HTR1A 70/4885
US-20100311969-A1 Process For Preparation of Paliperidone FIP1L1, HTR3C, HTR4 ATP4A 4190/4885ATP4B 3934/4885HTR1A 4/4885
US-20110293889-A1 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE AVPR2, AVPR1B, AVPR1A ATP4A 3411/4885ATP4B 3330/4885HTR1A 24/4885

“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.