SCHEMBL4611370

SCHEMBL4611370

COc1cccc(NC(=O)CCCl)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.72
RAB9A P51151 2/20 0.68
MTNR1A P48039 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
GAA P10253 1/20 0.67
ALOX15 P16050 1/20 0.67
HPGD P15428 3/20 0.63
NPC1 O15118 2/20 0.63
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
THRB P10828 1/20 0.61
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.58

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
SCHEMBL21504275 0.90 MTNR1B (0.64) MTNR1BRAB9AMTNR1AL3MBTL1GAA
SCHEMBL8278751 0.89 MTNR1B (0.89) MTNR1BRAB9AMTNR1AL3MBTL1GAA
SCHEMBL31390722 0.88 ALDH1A1 (0.70) MTNR1BRAB9AMTNR1AL3MBTL1GAA
SCHEMBL1837650 0.88 ALDH1A1 (0.70) MTNR1BRAB9AMTNR1AL3MBTL1GAA
SCHEMBL23080160 0.86 MTNR1B (0.70) MTNR1BRAB9AMTNR1AL3MBTL1GAA
SCHEMBL5142657 0.85 NPC1 (0.75) MTNR1BRAB9AMTNR1AL3MBTL1GAA
SCHEMBL8650865 0.85 HTT (0.65) MTNR1BRAB9AMTNR1AL3MBTL1GAA
SCHEMBL3145742 0.85 RAB9A (0.72) MTNR1BRAB9AMTNR1AL3MBTL1GAA
SCHEMBL3145750 0.85 RAB9A (0.72) MTNR1BRAB9AMTNR1AL3MBTL1GAA
SCHEMBL8288208 0.85 MTNR1B (0.68) MTNR1BRAB9AMTNR1AL3MBTL1GAA

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-20060079690-A1 Processes for preparing 7-hydroxy-3,4-dihydro-2(1H)-quinolinone and the use in aripiprazole preparation thereof CHEMAGIS LTD. (IL) 2006-04-13 US claimed
EP-1984352-A1 A NOVEL PROCESS FOR PREPARATION OF ARIPIPRAZOLE AND ITS INTERMEDIATES UNICHEM LABORATORIES LIMITED (IN) 2008-10-29 EP disclosed
WO-2007094009-A1 A NOVEL PROCESS FOR PREPARATION OF ARIPIPRAZOLE AND ITS INTERMEDIATES UNICHEM LABORATORIES LIMITED (IN) 2007-08-23 WO disclosed
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20060079690-A1 Processes for preparing 7-hydroxy-3,4-dihydro-2(1H)-quinolinone and the use in aripiprazole preparation thereof CHEMAGIS LTD. (IL) 2006-04-13 US disclosed
US-20060079690-A1 Processes for preparing 7-hydroxy-3,4-dihydro-2(1H)-quinolinone and the use in aripiprazole preparation thereof CHEMAGIS LTD. (IL) 2006-04-13 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 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 (2 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-20060079690-A1 Processes for preparing 7-hydroxy-3,4-dihydro-2(1H)-quinolinone and the use in aripiprazole preparation thereof CYP2A7, CYP3A7, CYP3A5 MTNR1B 1719/4885RAB9A 702/4885MTNR1A 1666/4885
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 MTNR1B 398/4885RAB9A 2064/4885MTNR1A 310/4885

“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.